data_1aw6_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 1aw6 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.263 1.774 0 CA-C-O 118.593 -0.718 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.5 p -72.66 170.16 15.1 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 121.195 1.816 . . . . 0.0 112.578 -168.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.703 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -58.47 -42.69 88.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.158 0.98 . . . . 0.0 110.54 -179.556 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.5 HG23 ' CE3' ' A' ' 36' ' ' TRP . 1.0 OUTLIER -65.43 -28.59 44.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.491 0.662 . . . . 0.0 112.658 -172.597 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.8 m -77.85 -32.82 52.28 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.859 1.314 . . . . 0.0 110.264 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.703 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -49.19 -64.6 0.76 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 123.688 1.709 . . . . 0.0 110.816 170.626 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.637 HD11 ' O ' ' A' ' 12' ' ' ASP . 2.2 mp -66.34 -51.39 57.7 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 120.515 -1.365 . . . . 0.0 110.743 -168.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.795 ' HB2' HD21 ' A' ' 19' ' ' LEU . 10.2 mmtm -75.81 -18.47 59.48 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.828 -172.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? 60.42 72.9 0.5 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 123.506 1.622 . . . . 0.0 109.311 -170.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.795 HD21 ' HB2' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -127.31 156.5 41.85 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.733 -176.066 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.72 146.85 35.7 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.447 0.641 . . . . 0.0 110.907 172.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.619 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 24.9 t -130.71 80.05 1.93 Allowed 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.728 -0.607 . . . . 0.0 112.14 -171.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.573 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 6.3 p -40.44 -26.93 0.04 OUTLIER 'General case' 0 C--O 1.247 0.95 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 169.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 13.7 mttt 84.89 9.19 0.4 Allowed 'General case' 0 C--O 1.251 1.168 0 O-C-N 120.834 -1.166 . . . . 0.0 113.61 170.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.98 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.7 pt-20 -46.29 152.91 0.38 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 122.472 1.13 . . . . 0.0 110.407 168.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 66.9 mttt -133.79 147.43 64.31 Favored Pre-proline 0 C--O 1.242 0.68 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.125 -167.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.483 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 98.2 Cg_endo -66.34 -45.21 0.36 Allowed 'Cis proline' 0 N--CA 1.532 3.742 0 N-CA-C 115.752 1.405 . . . . 0.0 115.752 -3.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.698 ' HD3' ' HB3' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -98.94 137.77 37.01 Favored 'General case' 0 C--O 1.245 0.835 0 O-C-N 120.623 -1.298 . . . . 0.0 110.066 178.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.98 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -57.35 -174.18 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.527 1.156 . . . . 0.0 110.446 174.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.612 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -63.25 -40.18 96.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 123.205 1.478 . . . . 0.0 109.943 170.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.741 ' HE2' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -45.86 -71.64 0.07 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 175.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.513 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 83.5 m -60.66 -39.87 89.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.551 -172.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.631 ' O ' HD21 ' A' ' 32' ' ' LEU . 2.9 tt -57.89 -37.11 73.38 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.301 1.048 . . . . 0.0 110.08 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.612 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 6.2 mtpp -71.9 -30.87 65.84 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.068 0.937 . . . . 0.0 111.15 -173.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.552 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 12.7 m-80 -112.5 5.76 18.16 Favored 'General case' 0 C--O 1.249 1.042 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.218 -175.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 51.43 82.37 0.06 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 122.464 1.126 . . . . 0.0 110.454 -171.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.568 ' HZ3' ' HG3' ' A' ' 30' ' ' LYS . 29.7 m0 -128.27 173.16 10.39 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-O 121.625 0.726 . . . . 0.0 110.395 -176.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -106.02 64.23 0.68 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.801 0.81 . . . . 0.0 110.557 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.698 ' HB3' ' HD3' ' A' ' 27' ' ' LYS . 9.8 t -44.96 97.99 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.458 1.123 . . . . 0.0 112.009 175.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.319 -0.726 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.911 172.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.495 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 39' ' ' ARG . 30.4 p -72.43 175.06 6.55 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 120.264 1.393 . . . . 0.0 113.433 -166.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.688 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 9.9 t70 -59.03 -49.28 78.49 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.069 175.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.56 HG13 ' HB3' ' A' ' 36' ' ' TRP . 3.0 mm -56.28 -30.58 30.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -172.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.2 m -77.42 -30.74 53.64 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 123.083 1.42 . . . . 0.0 109.899 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.688 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -52.36 -62.82 1.4 Allowed 'General case' 0 C--O 1.241 0.609 0 CA-C-O 122.849 1.309 . . . . 0.0 111.694 170.077 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.92 -52.65 58.84 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.457 1.123 . . . . 0.0 110.728 -169.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.887 ' HB2' HD21 ' A' ' 19' ' ' LEU . 5.0 mmmt -74.97 -21.15 59.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 122.103 0.954 . . . . 0.0 111.655 -175.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.18 74.95 0.37 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 124.715 2.198 . . . . 0.0 108.914 -169.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.906 HD22 ' HD3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -120.24 178.18 4.74 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 113.38 -1.736 . . . . 0.0 109.899 179.613 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -89.04 151.26 22.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.775 170.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.1 t -130.88 78.77 1.86 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.321 0.581 . . . . 0.0 112.526 -175.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.656 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 10.3 p -39.47 -29.86 0.06 Allowed 'General case' 0 C--O 1.244 0.77 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 169.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.656 ' HB2' ' O ' ' A' ' 22' ' ' SER . 7.7 mttp 87.64 7.52 0.2 Allowed 'General case' 0 C--O 1.252 1.191 0 C-N-CA 124.4 1.08 . . . . 0.0 113.737 169.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 1.102 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.8 pt-20 -44.66 159.56 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 122.659 1.219 . . . . 0.0 111.252 170.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.35 145.85 51.38 Favored Pre-proline 0 C--O 1.244 0.807 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.442 -169.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.548 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 99.0 Cg_endo -66.6 -45.9 0.33 Allowed 'Cis proline' 0 N--CA 1.531 3.705 0 N-CA-C 115.745 1.402 . . . . 0.0 115.745 -3.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.548 ' HG2' ' HG2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -96.52 138.04 34.7 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 120.603 -1.311 . . . . 0.0 109.541 179.621 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.102 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -56.25 -172.2 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 123.2 1.476 . . . . 0.0 110.359 172.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.747 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -63.63 -40.02 95.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 122.627 1.203 . . . . 0.0 110.578 170.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.906 ' HD3' HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -46.78 -72.57 0.05 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 173.605 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.441 ' HA ' ' HB2' ' A' ' 36' ' ' TRP . 35.4 m -72.23 -13.21 61.47 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.241 1.019 . . . . 0.0 113.706 -168.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.539 HD22 ' O ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -76.84 -43.63 35.45 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 119.984 -1.697 . . . . 0.0 110.241 167.757 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.747 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 4.5 mttm -69.2 -27.73 65.76 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.536 1.16 . . . . 0.0 111.292 -171.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.563 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 19.0 m-80 -114.66 -3.07 12.91 Favored 'General case' 0 C--O 1.254 1.337 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -171.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 59.33 51.96 6.34 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 125.081 2.372 . . . . 0.0 109.419 -175.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.563 ' CE2' ' HB3' ' A' ' 34' ' ' ASN . 42.9 m0 -98.83 172.86 7.17 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 114.228 -1.351 . . . . 0.0 110.881 169.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -108.24 71.24 0.79 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.008 0.908 . . . . 0.0 110.858 -173.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.426 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 10.6 t -45.67 107.05 0.09 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.929 1.347 . . . . 0.0 111.4 177.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.507 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.712 169.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.55 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.3 p -77.36 174.97 10.2 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 120.82 1.645 . . . . 0.0 113.452 -166.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.81 ' HA ' ' HD2' ' A' ' 15' ' ' ARG . 8.1 t70 -54.78 -43.32 72.7 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-O 122.35 1.071 . . . . 0.0 111.468 176.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.531 HG23 ' CE3' ' A' ' 36' ' ' TRP . 2.4 mm -65.18 -27.24 41.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -175.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.6 m -77.97 -36.42 49.05 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.395 0.617 . . . . 0.0 110.508 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.81 ' HD2' ' HA ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -52.4 -59.09 4.84 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-O 122.322 1.058 . . . . 0.0 111.452 171.139 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.78 -52.28 61.03 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 120.576 -1.327 . . . . 0.0 110.517 -168.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.585 ' HB2' HD21 ' A' ' 19' ' ' LEU . 2.3 mptp? -76.41 -20.07 57.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.133 -0.939 . . . . 0.0 111.791 -173.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? 61.08 71.54 0.56 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 123.737 1.732 . . . . 0.0 109.298 -171.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.793 ' CD2' ' HE2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -124.18 164.58 19.2 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.294 -1.321 . . . . 0.0 109.982 -172.496 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.507 ' H ' ' HG3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.14 138.93 31.01 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.408 0.623 . . . . 0.0 110.931 172.157 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.633 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 5.6 t -119.05 82.08 1.81 Allowed 'General case' 0 C--N 1.32 -0.701 0 O-C-N 121.881 -0.512 . . . . 0.0 112.251 -172.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.611 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.8 p -39.9 -29.54 0.07 Allowed 'General case' 0 C--O 1.244 0.782 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 169.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.633 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 24.8 mttp 86.02 11.8 0.2 Allowed 'General case' 0 C--O 1.251 1.171 0 C-N-CA 124.635 1.174 . . . . 0.0 113.923 169.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 1.088 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 3.0 pt-20 -52.04 161.44 0.59 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 123.291 1.52 . . . . 0.0 113.019 168.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -135.53 149.33 69.07 Favored Pre-proline 0 C--O 1.245 0.832 0 CA-C-N 114.51 -1.223 . . . . 0.0 112.483 -170.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.478 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 97.8 Cg_endo -66.36 -44.07 0.47 Allowed 'Cis proline' 0 N--CA 1.532 3.764 0 N-CA-C 115.73 1.396 . . . . 0.0 115.73 -3.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.478 ' H ' ' HG2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -99.32 139.41 35.02 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 120.914 -1.116 . . . . 0.0 109.458 177.575 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.088 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.4 p -54.19 178.74 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 122.642 1.211 . . . . 0.0 110.27 173.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.74 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -58.88 -39.16 80.56 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 123.734 1.73 . . . . 0.0 109.045 171.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.793 ' HE2' ' CD2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -45.73 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 174.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.481 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 63.1 m -61.24 -41.49 96.98 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.431 -170.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.04 -35.22 72.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.049 0.928 . . . . 0.0 110.637 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.74 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 2.1 mtmp? -73.17 -29.78 63.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.134 0.968 . . . . 0.0 111.51 -176.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.527 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 43.5 m-80 -111.96 8.01 20.11 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.119 -177.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 45.35 81.4 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.222 1.011 . . . . 0.0 111.302 -171.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.621 ' HZ3' ' HG3' ' A' ' 30' ' ' LYS . 17.9 m0 -123.68 -178.08 3.92 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.824 0.821 . . . . 0.0 110.466 -172.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -108.0 84.92 2.03 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.795 0.807 . . . . 0.0 111.572 173.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.3 t -63.07 91.81 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.998 0.904 . . . . 0.0 111.045 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.708 0 CA-C-O 123.449 1.595 . . . . 0.0 110.759 172.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.7 p -58.91 171.27 0.7 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 122.475 1.131 . . . . 0.0 112.499 -169.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.824 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 8.6 t0 -58.78 -58.33 9.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.106 -174.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 1.03 HG12 HD23 ' A' ' 16' ' ' LEU . 3.8 mt -73.81 -10.48 13.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -169.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.1 m -76.98 -28.11 54.98 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 123.887 1.803 . . . . 0.0 108.551 167.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.824 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -63.19 -61.13 2.57 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-N 114.955 -1.021 . . . . 0.0 112.998 167.638 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 1.03 HD23 HG12 ' A' ' 13' ' ' ILE . 3.0 pp -68.55 -42.06 78.91 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 123.645 1.688 . . . . 0.0 109.639 -169.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.951 ' HG2' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -78.27 -25.65 46.84 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 114.295 -1.321 . . . . 0.0 111.885 -174.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.89 71.75 0.55 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 123.747 1.737 . . . . 0.0 109.575 -169.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.951 HD23 ' HG2' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -125.79 -177.67 4.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.33 -1.304 . . . . 0.0 110.515 -174.799 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt -89.0 147.92 24.03 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.002 171.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.808 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 5.5 t -137.63 68.81 1.4 Allowed 'General case' 0 C--O 1.245 0.817 0 CA-C-O 121.268 0.556 . . . . 0.0 112.386 -178.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.635 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 6.3 p -39.41 -24.57 0.01 OUTLIER 'General case' 0 C--O 1.245 0.847 0 O-C-N 121.339 -0.85 . . . . 0.0 112.93 168.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.808 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 5.0 mtpm? 86.77 8.63 0.23 Allowed 'General case' 0 C--O 1.253 1.244 0 C-N-CA 124.552 1.141 . . . . 0.0 113.994 168.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.882 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 0.7 OUTLIER -46.77 155.24 0.26 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 122.774 1.274 . . . . 0.0 110.65 169.156 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.404 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -137.22 152.99 74.58 Favored Pre-proline 0 C--O 1.243 0.712 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.02 -168.023 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.484 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 97.2 Cg_endo -65.33 -38.88 1.07 Allowed 'Cis proline' 0 N--CA 1.532 3.756 0 N-CA-C 115.697 1.383 . . . . 0.0 115.697 -3.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.764 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -104.37 139.95 38.6 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 121.294 -0.878 . . . . 0.0 110.401 174.59 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.882 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.7 p -56.94 -173.11 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.557 1.17 . . . . 0.0 110.276 172.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.702 ' O ' ' HG2' ' A' ' 33' ' ' LYS . . . -62.16 -43.39 98.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.989 1.376 . . . . 0.0 109.974 170.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.927 ' HE2' ' CZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -46.52 -71.1 0.08 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 177.565 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.764 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 55.7 m -59.65 -41.41 90.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.907 -172.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.551 HD22 ' O ' ' A' ' 32' ' ' LEU . 1.1 tt -59.76 -34.58 73.16 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.253 1.025 . . . . 0.0 110.253 -177.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.702 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 6.4 mmtp -73.22 -32.98 65.09 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.333 1.064 . . . . 0.0 111.44 -174.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.577 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 13.0 m-80 -109.45 5.71 23.57 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.694 -177.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 50.42 85.03 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.947 0.88 . . . . 0.0 110.688 -171.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.927 ' CZ3' ' HE2' ' A' ' 30' ' ' LYS . 35.6 m0 -128.99 171.39 12.4 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.462 -0.774 . . . . 0.0 110.289 -177.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -100.85 64.42 1.08 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.635 0.731 . . . . 0.0 110.61 -175.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.7 t -44.7 94.04 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.093 0.949 . . . . 0.0 111.72 173.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.426 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 1.3 ttp85 . . . . . 0 C--N 1.318 -0.796 0 CA-C-O 122.46 1.124 . . . . 0.0 112.657 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.253 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.77 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 26.6 p -59.59 171.95 0.77 Allowed 'General case' 0 C--N 1.315 -0.901 0 O-C-N 121.377 -0.827 . . . . 0.0 112.111 -169.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.719 ' O ' HD22 ' A' ' 16' ' ' LEU . 14.4 t70 -57.66 -37.26 73.08 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.008 0.909 . . . . 0.0 111.008 178.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.564 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 2.2 mm -74.41 -26.54 20.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -172.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.5 m -78.58 -33.85 47.34 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.908 1.337 . . . . 0.0 110.373 178.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.77 ' HG2' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -51.3 -65.21 0.6 Allowed 'General case' 0 C--O 1.241 0.608 0 CA-C-O 123.437 1.589 . . . . 0.0 110.988 171.292 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.719 HD22 ' O ' ' A' ' 12' ' ' ASP . 0.8 OUTLIER -67.54 -46.24 73.35 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.846 1.308 . . . . 0.0 110.501 -168.521 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.633 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -76.88 -21.68 54.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.972 -174.075 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 mttt 61.03 73.07 0.49 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 123.531 1.634 . . . . 0.0 109.678 -170.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.893 HD22 ' HD2' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -126.84 168.99 13.7 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.338 -175.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.43 ' H ' ' HG2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.32 148.51 24.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.85 171.83 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.7 t -132.78 76.91 1.71 Allowed 'General case' 0 C--O 1.245 0.858 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -172.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.635 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 4.6 p -39.05 -26.48 0.02 OUTLIER 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.426 -0.796 . . . . 0.0 112.887 168.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.635 ' HB2' ' O ' ' A' ' 22' ' ' SER . 12.7 mttp 87.61 7.31 0.21 Allowed 'General case' 0 C--O 1.252 1.208 0 C-N-CA 124.747 1.219 . . . . 0.0 113.864 169.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 1.045 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.7 pt-20 -45.37 157.98 0.08 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 122.529 1.157 . . . . 0.0 110.926 170.021 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.467 ' HB2' ' HE2' ' A' ' 25' ' ' LYS . 6.1 mtmm -138.05 152.07 71.22 Favored Pre-proline 0 C--O 1.243 0.76 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.967 -169.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.49 ' HG2' ' HG3' ' A' ' 27' ' ' LYS . 83.0 Cg_endo -64.76 -42.13 0.63 Allowed 'Cis proline' 0 N--CA 1.53 3.631 0 N-CA-C 115.316 1.237 . . . . 0.0 115.316 -3.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.732 ' HE3' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -102.3 141.7 34.7 Favored 'General case' 0 C--N 1.318 -0.802 0 O-C-N 121.001 -1.062 . . . . 0.0 110.721 175.165 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.045 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -55.7 -174.66 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 122.597 1.189 . . . . 0.0 110.623 172.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.522 ' HB1' ' OE2' ' A' ' 24' ' ' GLU . . . -63.01 -39.66 95.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 123.042 1.401 . . . . 0.0 110.096 171.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.893 ' HD2' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -48.03 -69.15 0.13 Allowed 'General case' 0 C--O 1.242 0.69 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 175.221 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.508 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 83.3 m -59.97 -41.21 91.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.553 -0.717 . . . . 0.0 110.466 -173.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.795 ' O ' HD21 ' A' ' 32' ' ' LEU . 2.8 tt -58.65 -35.57 72.75 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.36 1.076 . . . . 0.0 109.986 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -75.45 -26.9 58.67 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.848 -173.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.568 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 27.0 m-80 -114.22 6.61 16.28 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.354 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 50.01 84.86 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.012 0.911 . . . . 0.0 111.161 -171.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.568 ' CE2' ' HB3' ' A' ' 34' ' ' ASN . 28.4 m0 -130.05 173.06 11.09 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-O 121.621 0.725 . . . . 0.0 110.351 -175.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.21 54.74 0.7 Allowed 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.085 -1.009 . . . . 0.0 111.334 -172.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.562 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 13.3 t -41.52 106.34 0.06 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.915 1.34 . . . . 0.0 113.834 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.401 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 1.6 mtt180 . . . . . 0 C--O 1.248 0.998 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.831 165.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.233 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.9 p -77.46 173.99 11.35 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 120.667 -1.271 . . . . 0.0 111.416 -172.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.639 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 2.6 t70 -66.06 -50.49 63.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.569 0.699 . . . . 0.0 110.743 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.508 HG23 ' CE3' ' A' ' 36' ' ' TRP . 2.7 mm -56.3 -28.94 26.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -174.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.1 m -78.09 -32.04 50.41 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 123.139 1.447 . . . . 0.0 110.122 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.639 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -51.2 -63.02 1.27 Allowed 'General case' 0 C--O 1.242 0.673 0 CA-C-O 123.13 1.443 . . . . 0.0 111.498 170.58 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 15' ' ' ARG . 0.9 OUTLIER -66.71 -49.79 64.93 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 120.666 -1.271 . . . . 0.0 110.759 -169.011 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.864 ' HB2' HD23 ' A' ' 19' ' ' LEU . 10.5 mmtm -75.01 -21.4 59.14 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.993 0.902 . . . . 0.0 111.851 -175.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.5 mttt 58.36 74.97 0.41 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 123.288 1.518 . . . . 0.0 109.805 -170.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.864 HD23 ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -123.11 178.41 5.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.824 1.297 . . . . 0.0 109.608 172.305 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -88.97 158.78 17.92 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.843 170.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.866 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 7.5 t -139.14 78.57 1.68 Allowed 'General case' 0 C--O 1.242 0.702 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -174.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.592 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 3.5 p -39.72 -28.98 0.05 Allowed 'General case' 0 C--O 1.244 0.788 0 O-C-N 121.418 -0.801 . . . . 0.0 113.014 168.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.866 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 17.9 mttp 87.86 8.53 0.16 Allowed 'General case' 0 C--O 1.257 1.489 0 C-N-CA 124.603 1.161 . . . . 0.0 113.703 169.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 1.083 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.6 pt-20 -46.23 156.88 0.14 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 119.495 1.043 . . . . 0.0 110.165 169.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 9.6 mtmm -137.2 154.85 76.01 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-O 121.654 0.74 . . . . 0.0 112.021 -168.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.456 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 89.5 Cg_endo -64.78 -40.07 0.86 Allowed 'Cis proline' 0 N--CA 1.531 3.695 0 N-CA-C 115.69 1.381 . . . . 0.0 115.69 -3.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.604 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -102.99 142.31 34.31 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.126 -0.984 . . . . 0.0 110.286 172.841 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.083 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -54.35 -175.85 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.738 1.256 . . . . 0.0 110.104 171.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.527 ' O ' ' HG2' ' A' ' 33' ' ' LYS . . . -52.57 -49.37 65.11 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.39 1.09 . . . . 0.0 110.041 171.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.523 ' CE ' ' HG ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -72.83 -44.46 61.41 Favored 'General case' 0 C--O 1.274 2.384 0 N-CA-C 117.028 2.233 . . . . 0.0 117.028 -168.018 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.604 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 61.8 m -57.64 -40.58 79.56 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 121.326 1.875 . . . . 0.0 108.212 174.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.654 ' O ' HD12 ' A' ' 32' ' ' LEU . 2.8 tm? -60.41 -33.59 72.72 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.927 0.87 . . . . 0.0 110.86 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -75.7 -28.37 58.6 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.175 0.988 . . . . 0.0 111.985 -175.611 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.524 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 17.2 m-20 -112.74 11.23 19.38 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 123.202 0.601 . . . . 0.0 111.545 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 42.35 83.44 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.931 0.872 . . . . 0.0 111.806 -172.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.53 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 17.6 m0 -125.78 175.66 7.47 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.973 0.892 . . . . 0.0 110.586 -172.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -104.95 59.43 0.69 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.086 0.946 . . . . 0.0 110.917 -175.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.2 t -42.94 95.83 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.186 0.994 . . . . 0.0 111.866 172.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.607 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.585 0 CA-C-O 121.461 0.648 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.406 ' CB ' ' SG ' ' A' ' 38' ' ' CYS . 30.4 p -72.25 178.62 3.79 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.324 0.583 . . . . 0.0 111.141 -172.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -61.56 -35.1 76.84 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 121.429 -0.795 . . . . 0.0 110.944 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.935 HD11 HD23 ' A' ' 16' ' ' LEU . 6.9 mm -76.2 -28.18 18.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -173.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.595 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 16.6 m -79.74 -35.93 38.06 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.775 1.274 . . . . 0.0 110.137 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.609 ' HG2' ' N ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -53.19 -60.26 3.51 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-O 122.557 1.17 . . . . 0.0 111.17 169.065 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 1.07 HD11 ' HG2' ' A' ' 17' ' ' LYS . 2.3 pp -63.41 -52.23 62.47 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 120.553 -1.342 . . . . 0.0 110.488 -169.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 1.07 ' HG2' HD11 ' A' ' 16' ' ' LEU . 3.4 mmtm -77.51 -21.69 52.35 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.037 0.922 . . . . 0.0 111.995 -174.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.6 mttt 59.11 72.38 0.53 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 124.701 2.191 . . . . 0.0 109.424 -170.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.961 HD12 ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -120.57 -179.7 4.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 113.557 -1.656 . . . . 0.0 110.3 -173.116 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.541 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.86 141.04 28.83 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.016 171.477 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.595 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 16.5 t -136.89 80.0 1.79 Allowed 'General case' 0 C--O 1.244 0.784 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -172.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.535 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.0 p -41.75 -23.1 0.02 OUTLIER 'General case' 0 C--O 1.247 0.944 0 N-CA-C 114.05 1.129 . . . . 0.0 114.05 167.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 22' ' ' SER . 9.0 mttp 77.33 4.11 3.17 Favored 'General case' 0 C--O 1.25 1.092 0 O-C-N 120.56 -1.338 . . . . 0.0 114.534 174.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.723 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -46.35 154.51 0.27 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 122.781 1.277 . . . . 0.0 110.631 169.858 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.449 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 79.6 mttt -135.95 154.09 77.45 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.265 -167.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.479 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 88.8 Cg_endo -64.8 -41.17 0.73 Allowed 'Cis proline' 0 N--CA 1.531 3.733 0 N-CA-C 115.482 1.301 . . . . 0.0 115.482 -3.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.54 ' HA ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -103.31 140.32 37.57 Favored 'General case' 0 C--O 1.245 0.848 0 O-C-N 121.132 -0.98 . . . . 0.0 110.39 174.096 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.723 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -56.51 -175.75 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.66 1.219 . . . . 0.0 110.235 172.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.627 ' HB1' ' OE2' ' A' ' 24' ' ' GLU . . . -62.53 -40.48 96.92 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 123.304 1.526 . . . . 0.0 109.689 170.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.537 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -45.87 -72.33 0.06 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 176.094 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.495 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 85.2 m -58.55 -42.73 88.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.323 -171.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.616 ' O ' HD21 ' A' ' 32' ' ' LEU . 1.1 tm? -59.37 -33.91 71.76 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.079 0.942 . . . . 0.0 110.0 -176.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 29.3 mmtt -77.45 -29.57 52.85 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.255 1.026 . . . . 0.0 111.886 -174.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.555 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 33.3 m-80 -105.35 4.96 31.43 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.046 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.64 81.16 0.05 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.242 1.02 . . . . 0.0 110.861 -171.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.555 ' CE2' ' HB3' ' A' ' 34' ' ' ASN . 26.4 m0 -125.96 174.28 8.53 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-O 121.673 0.749 . . . . 0.0 110.425 -175.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -105.1 63.28 0.7 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.796 0.808 . . . . 0.0 110.897 -176.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.54 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 8.3 t -46.08 98.55 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.892 0.853 . . . . 0.0 111.213 172.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.58 0 CA-C-O 122.736 1.255 . . . . 0.0 113.642 172.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.482 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.8 p -70.98 173.93 6.85 Favored 'General case' 0 C--N 1.315 -0.909 0 O-C-N 120.559 -1.338 . . . . 0.0 111.551 -169.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -68.9 -27.14 65.51 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 121.821 -0.55 . . . . 0.0 112.389 -177.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.46 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 1.3 mm -75.76 -33.43 26.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.626 0.727 . . . . 0.0 112.27 -174.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.2 m -77.09 -33.24 57.02 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.647 1.213 . . . . 0.0 109.947 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.582 ' HG2' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -48.91 -62.89 1.28 Allowed 'General case' 0 C--O 1.243 0.715 0 CA-C-O 123.412 1.577 . . . . 0.0 111.234 171.681 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.582 HD12 ' HG2' ' A' ' 15' ' ' ARG . 0.5 OUTLIER -72.13 -43.21 65.06 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 120.397 -1.439 . . . . 0.0 110.736 -168.585 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.918 ' HB3' HD12 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -74.74 -18.66 60.46 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.427 -174.131 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.452 ' HZ1' ' HG2' ' A' ' 18' ' ' LYS . 9.0 mttm 60.73 73.22 0.49 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 124.346 2.022 . . . . 0.0 109.449 -171.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.918 HD12 ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -124.19 -169.86 2.04 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 113.896 -1.502 . . . . 0.0 109.508 -174.721 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.606 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.6 OUTLIER -88.69 -152.04 0.22 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.767 167.327 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.88 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 5.6 t 179.52 81.29 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.459 0.647 . . . . 0.0 111.342 169.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.616 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 9.9 p -39.56 -31.54 0.1 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 170.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.88 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 47.6 mttp 87.76 5.56 0.26 Allowed 'General case' 0 C--O 1.251 1.153 0 C-N-CA 124.409 1.084 . . . . 0.0 113.339 170.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 1.031 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 3.5 pt-20 -45.18 157.16 0.09 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 122.643 1.211 . . . . 0.0 111.16 169.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -138.05 146.43 52.09 Favored Pre-proline 0 C--O 1.243 0.74 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.07 -169.446 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.497 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 94.8 Cg_endo -66.52 -45.34 0.36 Allowed 'Cis proline' 0 N--CA 1.532 3.771 0 N-CA-C 115.825 1.433 . . . . 0.0 115.825 -3.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -96.01 135.45 37.76 Favored 'General case' 0 C--O 1.246 0.909 0 O-C-N 120.662 -1.273 . . . . 0.0 110.169 179.288 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.031 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -57.24 -172.53 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.599 1.19 . . . . 0.0 110.19 172.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.52 ' HB1' ' OE2' ' A' ' 24' ' ' GLU . . . -59.31 -46.74 87.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 122.385 1.088 . . . . 0.0 110.455 170.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.846 ' HE2' ' HG ' ' A' ' 19' ' ' LEU . 4.2 mmmt -46.71 -72.87 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 178.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.56 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 58.0 m -58.77 -39.68 81.73 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 114.646 -1.161 . . . . 0.0 112.039 -169.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.535 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.4 tm? -59.91 -38.37 82.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.219 1.009 . . . . 0.0 110.081 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -70.95 -28.66 64.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.387 -175.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.53 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 37.2 m-80 -115.04 6.36 15.2 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.292 -174.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 48.36 82.06 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.201 1.001 . . . . 0.0 110.92 -171.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.53 ' CE2' ' HB3' ' A' ' 34' ' ' ASN . 27.6 m0 -126.88 174.36 8.87 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.728 0.775 . . . . 0.0 110.407 -175.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.13 70.11 1.19 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.973 0.892 . . . . 0.0 110.83 -179.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 12.0 t -48.51 95.82 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.548 1.166 . . . . 0.0 111.347 171.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.662 0 CA-C-O 123.54 1.638 . . . . 0.0 112.39 175.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.232 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.8 p -63.6 174.1 1.46 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 122.6 1.191 . . . . 0.0 112.764 -168.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.631 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 1.2 t70 -62.15 -45.86 91.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.315 178.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.577 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 1.9 mm -59.05 -28.82 39.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -172.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.7 m -77.18 -32.04 55.81 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.661 1.22 . . . . 0.0 110.146 177.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.631 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 2.6 mtp180 -50.1 -63.86 0.99 Allowed 'General case' 0 C--O 1.242 0.707 0 CA-C-O 123.587 1.661 . . . . 0.0 111.239 170.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.84 -49.66 60.97 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 120.321 -1.487 . . . . 0.0 110.894 -168.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.818 ' HB2' HD21 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -75.02 -19.44 60.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.643 -174.23 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.446 ' HZ1' ' HG2' ' A' ' 18' ' ' LYS . 19.9 mttm 59.89 71.99 0.55 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 123.702 1.715 . . . . 0.0 109.441 -171.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.834 HD22 ' HE2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -125.71 155.17 41.35 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.383 -1.281 . . . . 0.0 109.422 -175.823 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -79.55 134.98 36.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.87 0.843 . . . . 0.0 110.835 172.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.5 t -114.02 80.39 1.38 Allowed 'General case' 0 C--O 1.244 0.777 0 O-C-N 121.868 -0.52 . . . . 0.0 111.639 -171.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.641 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 11.0 p -38.63 -29.96 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 O-C-N 121.359 -0.838 . . . . 0.0 112.397 169.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.641 ' HB2' ' O ' ' A' ' 22' ' ' SER . 0.4 OUTLIER 88.34 7.43 0.16 Allowed 'General case' 0 C--O 1.254 1.31 0 C-N-CA 124.731 1.212 . . . . 0.0 114.064 167.792 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.934 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.3 pt-20 -46.88 154.23 0.35 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 122.638 1.209 . . . . 0.0 110.581 169.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.4 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 0.7 OUTLIER -138.38 150.89 68.06 Favored Pre-proline 0 C--O 1.243 0.76 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.028 -168.673 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.486 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 98.7 Cg_endo -65.64 -40.44 0.87 Allowed 'Cis proline' 0 N--CA 1.531 3.694 0 N-CA-C 115.719 1.392 . . . . 0.0 115.719 -3.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.574 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 6.8 mtmt -101.87 134.54 44.9 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 121.19 -0.943 . . . . 0.0 110.559 177.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.934 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -56.76 -173.76 0.01 OUTLIER 'General case' 0 C--O 1.241 0.63 0 CA-C-O 122.626 1.203 . . . . 0.0 110.175 172.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.513 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -64.73 -40.04 94.65 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 123.235 1.493 . . . . 0.0 110.113 170.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.834 ' HE2' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -45.46 -72.67 0.05 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 114.665 1.358 . . . . 0.0 114.665 174.546 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.574 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 55.8 m -61.23 -38.77 87.82 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.777 -171.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.1 -40.31 76.76 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 122.115 0.96 . . . . 0.0 109.7 178.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 7.2 mtpm? -70.94 -27.54 63.83 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.987 -174.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.47 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 45.8 m-20 -125.04 30.99 5.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.19 -176.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 35.93 68.09 0.26 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 124.776 2.227 . . . . 0.0 111.75 172.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.562 ' HZ3' ' HG3' ' A' ' 30' ' ' LYS . 15.8 m0 -115.88 179.04 4.1 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.75 -170.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -108.41 67.89 0.68 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.837 0.827 . . . . 0.0 111.544 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.426 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 17.4 t -45.33 97.03 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.493 1.14 . . . . 0.0 111.024 171.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.552 ' HB2' ' HB3' ' A' ' 12' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.716 0 CA-C-O 122.567 1.175 . . . . 0.0 112.284 -174.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.637 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.4 p -61.93 175.31 0.69 Allowed 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 120.957 1.708 . . . . 0.0 112.134 -168.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -57.28 -45.33 84.19 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.432 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.458 HG23 ' CE3' ' A' ' 36' ' ' TRP . 1.5 mm -61.78 -32.8 55.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -171.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.8 m -76.55 -32.5 58.23 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 122.286 1.041 . . . . 0.0 110.054 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.801 ' HG2' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -49.97 -63.19 1.19 Allowed 'General case' 0 C--O 1.244 0.779 0 CA-C-O 123.415 1.579 . . . . 0.0 111.13 171.274 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.801 ' N ' ' HG2' ' A' ' 15' ' ' ARG . 31.8 mt -66.44 -52.01 50.82 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 120.271 -1.518 . . . . 0.0 110.719 -168.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.506 ' CB ' HD23 ' A' ' 19' ' ' LEU . 5.6 mmtm -75.28 -17.41 60.3 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.544 -172.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp 61.35 72.04 0.53 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 123.816 1.77 . . . . 0.0 109.722 -172.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.614 HD22 ' HD2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -125.6 172.39 9.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.157 -172.705 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.423 ' H ' ' HG3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.25 151.64 22.51 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.946 172.195 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.9 t -136.09 78.08 1.69 Allowed 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.688 0.756 . . . . 0.0 112.951 -172.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.551 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 8.4 p -44.97 -19.57 0.03 OUTLIER 'General case' 0 C--O 1.249 1.04 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 169.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.551 ' HB2' ' O ' ' A' ' 22' ' ' SER . 0.6 OUTLIER 77.39 -2.61 2.57 Favored 'General case' 0 C--O 1.254 1.301 0 O-C-N 120.671 -1.268 . . . . 0.0 114.389 174.891 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 1.037 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 3.7 pt-20 -44.18 152.84 0.17 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 119.487 1.04 . . . . 0.0 110.331 170.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.543 ' HE3' ' O ' ' A' ' 23' ' ' LYS . 3.3 mttt -137.03 155.17 76.33 Favored Pre-proline 0 C--O 1.244 0.768 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.023 -168.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.455 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 89.0 Cg_endo -64.98 -36.96 1.43 Allowed 'Cis proline' 0 N--CA 1.531 3.701 0 N-CA-C 115.842 1.439 . . . . 0.0 115.842 -3.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.455 ' H ' ' HG2' ' A' ' 26' ' ' PRO . 0.1 OUTLIER -104.82 137.45 42.58 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.435 -0.791 . . . . 0.0 110.782 174.161 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.037 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.9 p -56.45 -173.49 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.557 1.17 . . . . 0.0 110.787 171.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.629 ' HB1' ' OE2' ' A' ' 24' ' ' GLU . . . -60.08 -43.37 95.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 122.759 1.266 . . . . 0.0 109.646 170.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.614 ' HD2' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -48.28 -69.89 0.11 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 179.717 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.497 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 69.9 m -61.39 -39.39 90.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.607 -172.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 32' ' ' LEU . 1.4 tm? -58.95 -36.2 74.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 122.31 1.052 . . . . 0.0 110.234 178.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 18.1 mmtt -70.85 -30.45 66.86 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.213 1.006 . . . . 0.0 111.075 -174.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.549 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 13.4 m-80 -116.43 7.46 13.83 Favored 'General case' 0 C--O 1.247 0.941 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.924 -174.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 49.32 85.27 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.454 -0.779 . . . . 0.0 111.21 -171.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.549 ' CE2' ' HB3' ' A' ' 34' ' ' ASN . 25.0 m0 -130.34 177.12 7.57 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.918 0.866 . . . . 0.0 110.715 -173.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.47 65.6 0.68 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.718 0.771 . . . . 0.0 110.844 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.7 t -38.67 95.01 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.531 1.158 . . . . 0.0 111.919 171.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 . . . . . 0 C--N 1.321 -0.645 0 CA-C-O 122.172 0.986 . . . . 0.0 112.427 -172.123 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.452 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.405 ' CB ' ' SG ' ' A' ' 38' ' ' CYS . 9.3 p -63.33 177.2 0.67 Allowed 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 120.811 1.641 . . . . 0.0 112.399 -165.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.611 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -60.56 -47.02 88.04 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.821 0.82 . . . . 0.0 110.906 179.453 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.498 HG23 ' CE3' ' A' ' 36' ' ' TRP . 11.6 mm -62.12 -25.08 36.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.73 0.776 . . . . 0.0 112.572 -171.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 19.6 m -78.47 -33.57 48.2 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.765 1.269 . . . . 0.0 110.47 176.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.611 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 4.1 mtt-85 -51.41 -64.47 0.8 Allowed 'General case' 0 C--O 1.242 0.678 0 CA-C-O 123.11 1.433 . . . . 0.0 111.101 171.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.63 -47.65 69.01 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.988 1.375 . . . . 0.0 110.23 -168.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 1.117 ' HE2' ' CH2' ' A' ' 36' ' ' TRP . 8.4 mtpp -77.32 -19.97 55.6 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.892 -172.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.48 ' HZ3' ' HG2' ' A' ' 18' ' ' LYS . 3.9 mttp 60.19 72.56 0.52 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 124.16 1.933 . . . . 0.0 108.95 -170.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.754 ' HG ' ' HE2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -123.54 154.59 39.0 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.551 -172.312 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.02 134.15 35.06 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.466 0.65 . . . . 0.0 110.347 171.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 3.2 t -112.37 84.99 2.07 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.157 0.503 . . . . 0.0 110.958 -171.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.656 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.3 p -38.13 -30.15 0.03 OUTLIER 'General case' 0 C--O 1.244 0.792 0 O-C-N 121.682 -0.636 . . . . 0.0 112.516 170.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.656 ' HB2' ' O ' ' A' ' 22' ' ' SER . 11.4 mttm 84.1 77.21 0.02 OUTLIER 'General case' 0 C--O 1.271 2.235 0 O-C-N 121.143 -0.973 . . . . 0.0 111.884 167.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 1.075 ' C ' ' HD3' ' A' ' 25' ' ' LYS . 1.1 pt-20 -139.49 158.84 43.44 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 118.2 -2.813 . . . . 0.0 110.125 -173.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 1.075 ' HD3' ' C ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -120.52 136.55 25.39 Favored Pre-proline 0 C--O 1.24 0.59 0 CA-C-O 121.761 0.791 . . . . 0.0 112.404 -167.692 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.5 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 87.9 Cg_endo -66.97 -50.33 0.18 OUTLIER 'Cis proline' 0 N--CA 1.534 3.859 0 N-CA-C 115.914 1.467 . . . . 0.0 115.914 -3.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.969 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -101.97 145.32 29.43 Favored 'General case' 0 C--O 1.255 1.354 0 O-C-N 120.437 -1.414 . . . . 0.0 110.065 -172.266 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.031 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.4 p -55.11 -176.01 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 123.221 1.486 . . . . 0.0 109.295 170.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.547 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -56.76 -41.87 78.36 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 123.243 1.497 . . . . 0.0 109.848 168.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.754 ' HE2' ' HG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -49.38 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 178.576 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.969 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 59.9 m -59.05 -37.87 78.05 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.092 -171.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 tt -61.1 -39.16 88.89 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.079 0.942 . . . . 0.0 109.834 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -65.61 -31.52 72.6 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 123.233 1.492 . . . . 0.0 110.27 -177.759 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.52 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . 2.5 m120 -113.17 2.97 15.82 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-N 114.826 -1.079 . . . . 0.0 113.894 -169.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 48.55 77.53 0.1 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.597 1.189 . . . . 0.0 110.381 -171.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 1.117 ' CH2' ' HE2' ' A' ' 17' ' ' LYS . 27.3 m0 -124.23 172.87 8.73 Favored 'General case' 0 C--O 1.245 0.818 0 C-N-CA 123.927 0.891 . . . . 0.0 110.273 -176.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -103.49 64.05 0.81 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.813 0.816 . . . . 0.0 110.592 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.526 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 15.6 t -42.59 95.95 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.939 0.875 . . . . 0.0 111.88 172.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.691 0 CA-C-O 124.455 2.074 . . . . 0.0 112.707 175.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.372 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.0 p -74.42 173.28 10.53 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 120.662 -1.274 . . . . 0.0 111.926 -170.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.551 ' HB2' ' HB3' ' A' ' 39' ' ' ARG . 1.3 t70 -70.11 -34.9 73.69 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 121.645 -0.659 . . . . 0.0 112.197 -178.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.491 HG23 ' CE3' ' A' ' 36' ' ' TRP . 1.3 mm -66.2 -31.53 54.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 O-C-N 121.593 -0.692 . . . . 0.0 112.76 -175.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.5 m -78.49 -33.08 48.42 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.67 1.224 . . . . 0.0 110.49 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.98 -63.6 1.08 Allowed 'General case' 0 C--O 1.242 0.669 0 CA-C-O 123.098 1.427 . . . . 0.0 111.115 171.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.6 mt -64.8 -52.96 54.03 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.752 1.263 . . . . 0.0 110.642 -169.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.713 ' HB2' HD21 ' A' ' 19' ' ' LEU . 6.7 mmmt -74.16 -19.89 60.41 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.366 -173.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp 58.97 71.93 0.56 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 123.907 1.813 . . . . 0.0 109.553 -171.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.789 ' CG ' ' HE2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -122.07 -177.6 3.63 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.22 -1.355 . . . . 0.0 110.603 -172.661 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.7 147.04 24.7 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.176 172.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 3.8 t -136.36 70.72 1.41 Allowed 'General case' 0 C--O 1.243 0.735 0 O-C-N 121.699 -0.626 . . . . 0.0 112.045 -175.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.643 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 5.4 p -39.28 -24.79 0.01 OUTLIER 'General case' 0 C--O 1.245 0.859 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 170.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.643 ' HB2' ' O ' ' A' ' 22' ' ' SER . 9.9 mttt 86.83 4.7 0.38 Allowed 'General case' 0 C--O 1.254 1.294 0 C-N-CA 124.544 1.138 . . . . 0.0 113.933 169.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 1.091 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.9 pt-20 -45.3 157.93 0.08 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 122.586 1.184 . . . . 0.0 111.307 170.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 11.2 mtmm -138.26 144.73 44.31 Favored Pre-proline 0 C--O 1.244 0.804 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.257 -169.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.499 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 95.1 Cg_endo -66.87 -47.08 0.27 Allowed 'Cis proline' 0 N--CA 1.531 3.714 0 N-CA-C 115.621 1.354 . . . . 0.0 115.621 -3.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.499 ' H ' ' HG2' ' A' ' 26' ' ' PRO . 7.1 mttp -95.1 131.89 40.6 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 120.654 -1.279 . . . . 0.0 110.137 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.091 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -55.79 -176.53 0.01 OUTLIER 'General case' 0 C--O 1.239 0.531 0 CA-C-O 122.803 1.287 . . . . 0.0 110.192 173.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.711 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -62.52 -40.79 97.9 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 123.151 1.453 . . . . 0.0 109.775 170.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.789 ' HE2' ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -45.29 -72.89 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 175.814 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.484 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 60.8 m -59.32 -43.05 92.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.485 -170.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.93 -34.37 73.14 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 122.131 0.967 . . . . 0.0 109.799 -177.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.711 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 10.5 mttm -77.0 -26.53 53.96 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.056 0.931 . . . . 0.0 111.881 -174.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.52 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 22.2 m-80 -112.81 8.06 18.66 Favored 'General case' 0 C--O 1.246 0.891 0 C-N-CA 123.067 0.547 . . . . 0.0 112.06 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 47.9 83.66 0.03 OUTLIER 'General case' 0 CA--C 1.506 -0.724 0 CA-C-O 122.41 1.1 . . . . 0.0 111.772 -171.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.52 ' CE2' ' HB3' ' A' ' 34' ' ' ASN . 32.5 m0 -128.68 176.0 8.14 Favored 'General case' 0 C--O 1.246 0.898 0 O-C-N 121.221 -0.925 . . . . 0.0 110.304 -177.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.34 65.78 0.64 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.063 0.935 . . . . 0.0 110.595 -177.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.473 ' H ' ' HD3' ' A' ' 27' ' ' LYS . 19.7 t -38.2 104.21 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.889 1.328 . . . . 0.0 111.835 174.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.551 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.584 0 CA-C-O 123.318 1.532 . . . . 0.0 112.191 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.132 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 39' ' ' ARG . 20.2 p -76.77 171.8 14.13 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 124.158 1.933 . . . . 0.0 114.222 -166.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.707 ' HB2' ' HB3' ' A' ' 39' ' ' ARG . 2.3 t70 -71.39 -36.04 71.27 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 114.574 -1.194 . . . . 0.0 112.179 -178.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.468 HG21 ' CD1' ' A' ' 19' ' ' LEU . 2.7 mm -59.33 -32.96 49.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 O-C-N 121.346 -0.846 . . . . 0.0 112.746 178.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.859 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 7.1 m -79.65 -36.62 37.55 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.146 0.498 . . . . 0.0 111.074 -173.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.655 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -54.89 -58.18 8.62 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-O 121.796 0.808 . . . . 0.0 111.802 170.888 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.26 -54.62 41.76 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-O 122.876 1.322 . . . . 0.0 110.184 -170.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.948 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -76.45 -20.9 56.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.04 -173.826 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.6 mttt 58.7 72.47 0.53 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 123.325 1.536 . . . . 0.0 109.284 -170.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.948 ' CD2' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -127.49 -179.49 4.94 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.134 -179.039 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -88.73 137.57 32.2 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 121.6 -0.688 . . . . 0.0 110.992 -174.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.859 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 20.8 t -143.0 77.14 1.56 Allowed 'General case' 0 C--O 1.249 1.071 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -172.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.641 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 5.9 p -43.44 -22.58 0.04 OUTLIER 'General case' 0 C--O 1.249 1.077 0 O-C-N 120.806 -1.184 . . . . 0.0 112.764 164.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.641 ' HG2' ' O ' ' A' ' 22' ' ' SER . 0.0 OUTLIER 68.81 30.23 4.84 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 122.951 1.358 . . . . 0.0 111.592 178.542 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.908 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.5 pt-20 -57.91 161.77 3.71 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 120.653 -1.28 . . . . 0.0 110.758 163.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 27.4 mtmt -135.32 154.26 78.55 Favored Pre-proline 0 C--O 1.243 0.728 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.235 -168.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.48 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 85.3 Cg_endo -65.19 -41.67 0.7 Allowed 'Cis proline' 0 N--CA 1.532 3.745 0 N-CA-C 115.436 1.283 . . . . 0.0 115.436 -3.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.951 ' HE3' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -106.33 145.08 32.11 Favored 'General case' 0 C--O 1.252 1.191 0 O-C-N 121.007 -1.058 . . . . 0.0 109.065 172.311 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.908 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.1 p -53.53 -178.29 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 123.068 1.413 . . . . 0.0 109.528 170.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.484 ' HB1' ' OE2' ' A' ' 24' ' ' GLU . . . -56.17 -43.72 78.63 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.454 1.121 . . . . 0.0 109.481 169.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.723 ' HD3' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -73.61 -36.9 65.56 Favored 'General case' 0 C--O 1.28 2.705 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -168.595 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.581 ' HB2' ' HB2' ' A' ' 27' ' ' LYS . 74.4 m -65.86 -39.47 90.75 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 122.765 2.53 . . . . 0.0 108.615 170.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.951 ' HG ' ' HE3' ' A' ' 27' ' ' LYS . 5.5 tt -56.22 -37.02 69.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.081 0.943 . . . . 0.0 110.287 177.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.98 -32.37 69.19 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.164 0.983 . . . . 0.0 110.692 -172.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.561 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 11.9 m-80 -112.02 3.91 17.74 Favored 'General case' 0 C--O 1.248 1.024 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.193 -173.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 52.87 82.65 0.07 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.387 1.089 . . . . 0.0 110.077 -171.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.561 ' CE2' ' HB3' ' A' ' 34' ' ' ASN . 22.6 m0 -127.06 173.09 9.95 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.816 0.817 . . . . 0.0 110.682 -175.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.22 60.99 0.72 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.367 0.604 . . . . 0.0 109.961 -177.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.441 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 23.8 t -39.45 105.89 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 123.316 1.531 . . . . 0.0 110.523 176.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.707 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 6.4 ttt180 . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.902 175.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.716 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 27.6 p -75.63 175.26 8.76 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 121.02 -1.05 . . . . 0.0 111.881 -170.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.823 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 3.4 t70 -60.22 -40.43 90.12 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.111 0.958 . . . . 0.0 110.945 176.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.444 HG23 ' CE3' ' A' ' 36' ' ' TRP . 2.0 mm -66.64 -29.88 47.91 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 O-C-N 121.611 -0.68 . . . . 0.0 112.624 -172.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.7 m -78.86 -34.19 45.23 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.367 1.08 . . . . 0.0 110.658 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.823 ' HG3' ' HA ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -50.85 -63.33 1.16 Allowed 'General case' 0 C--O 1.242 0.702 0 CA-C-O 123.168 1.461 . . . . 0.0 110.932 171.163 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' A' ' 15' ' ' ARG . 4.0 mp -65.55 -50.56 64.72 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 120.712 -1.243 . . . . 0.0 110.578 -169.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.585 ' HB2' HD21 ' A' ' 19' ' ' LEU . 5.4 mmtm -76.63 -19.46 57.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.781 -173.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt 59.72 72.07 0.55 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 123.489 1.614 . . . . 0.0 109.489 -171.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.87 HD22 ' HE2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -122.94 178.28 5.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.547 -173.638 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -88.61 149.5 23.53 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.212 171.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.456 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 8.6 t -134.63 75.53 1.58 Allowed 'General case' 0 C--O 1.243 0.754 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -177.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.663 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 6.9 p -39.72 -22.65 0.01 OUTLIER 'General case' 0 C--O 1.245 0.855 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 170.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.663 ' HB2' ' O ' ' A' ' 22' ' ' SER . 19.7 mttt 86.43 0.56 0.6 Allowed 'General case' 0 C--O 1.251 1.182 0 C-N-CA 124.557 1.143 . . . . 0.0 113.452 170.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 1.077 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 4.3 pt-20 -46.22 159.29 0.08 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.917 1.341 . . . . 0.0 112.648 170.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 0.6 OUTLIER -138.61 149.35 62.18 Favored Pre-proline 0 C--O 1.244 0.791 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.81 -170.607 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.485 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 92.6 Cg_endo -65.64 -44.25 0.44 Allowed 'Cis proline' 0 N--CA 1.531 3.683 0 N-CA-C 115.527 1.318 . . . . 0.0 115.527 -3.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.507 ' HB2' ' HB2' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -96.07 140.21 31.12 Favored 'General case' 0 C--O 1.245 0.853 0 O-C-N 120.734 -1.229 . . . . 0.0 110.091 177.232 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.077 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 2.0 p -58.22 -173.71 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.52 1.152 . . . . 0.0 110.433 171.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.699 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -61.43 -40.74 95.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.742 1.258 . . . . 0.0 110.13 170.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.87 ' HE2' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -48.13 -73.64 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 176.654 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.509 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 64.9 m -59.89 -38.22 81.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.36 -171.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.73 ' O ' HD21 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -61.15 -37.97 84.75 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 122.04 0.924 . . . . 0.0 109.978 179.223 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.699 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 3.1 mttt -66.57 -30.54 70.86 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 123.229 1.49 . . . . 0.0 110.425 -178.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.528 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . 2.3 m120 -115.61 8.67 15.12 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 124.159 0.984 . . . . 0.0 113.389 -169.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.402 ' ND2' ' N ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER 40.16 79.27 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 122.496 1.141 . . . . 0.0 111.433 -170.861 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.625 ' HZ3' ' HG3' ' A' ' 30' ' ' LYS . 21.0 m0 -122.49 177.31 5.47 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 124.108 0.963 . . . . 0.0 110.458 -173.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.67 63.22 0.72 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.207 1.003 . . . . 0.0 111.037 -178.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.439 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 10.2 t -45.17 108.2 0.12 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 123.056 1.407 . . . . 0.0 112.067 174.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.484 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--N 1.32 -0.678 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.436 167.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 120.66 0.267 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 39' ' ' ARG . 23.0 p -74.55 170.95 14.71 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 122.592 1.187 . . . . 0.0 112.496 -171.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -61.24 -53.08 61.34 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.182 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.744 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 1.4 mm -53.01 -28.76 14.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -172.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.442 ' HA ' HD13 ' A' ' 19' ' ' LEU . 5.5 m -79.36 -36.94 38.53 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.653 0.74 . . . . 0.0 110.883 -179.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.85 -64.05 0.94 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 123.468 1.604 . . . . 0.0 111.723 172.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mp -68.9 -46.37 68.52 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 120.356 -1.465 . . . . 0.0 110.424 -169.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 1.041 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 4.4 mttt -76.31 -16.94 59.66 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.506 -173.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 57.16 71.82 0.55 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 123.436 1.589 . . . . 0.0 110.172 -175.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 1.041 ' CD2' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -133.66 -179.1 5.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.973 -179.569 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HE2' ' HB3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.77 150.2 23.06 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.964 178.043 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.762 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 5.8 t -132.58 71.76 1.48 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.274 0.559 . . . . 0.0 112.234 -177.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.607 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.2 p -39.57 -23.38 0.01 OUTLIER 'General case' 0 C--O 1.246 0.901 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 169.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.762 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 18.6 mttt 87.72 2.45 0.38 Allowed 'General case' 0 C--O 1.252 1.191 0 C-N-CA 124.616 1.166 . . . . 0.0 113.76 168.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 1.02 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.5 pt-20 -45.57 157.74 0.09 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 122.663 1.221 . . . . 0.0 111.908 170.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -138.97 155.24 73.02 Favored Pre-proline 0 C--O 1.247 0.953 0 CA-C-N 115.08 -0.963 . . . . 0.0 111.396 -171.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.667 ' HG2' ' HD3' ' A' ' 27' ' ' LYS . 91.8 Cg_endo -65.0 -38.83 1.05 Allowed 'Cis proline' 0 N--CA 1.529 3.593 0 N-CA-C 115.968 1.488 . . . . 0.0 115.968 -3.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.667 ' HD3' ' HG2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -101.78 141.23 34.96 Favored 'General case' 0 C--O 1.25 1.104 0 O-C-N 121.391 -0.818 . . . . 0.0 110.102 172.581 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.02 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -55.84 -176.96 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.689 1.233 . . . . 0.0 110.104 171.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.728 ' O ' ' HG2' ' A' ' 33' ' ' LYS . . . -62.62 -39.78 94.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 123.408 1.575 . . . . 0.0 109.739 170.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.691 ' HG2' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -44.66 -72.95 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 174.739 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.48 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 61.9 m -59.1 -43.48 91.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.778 0.799 . . . . 0.0 110.442 -170.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -60.11 -33.33 71.98 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.077 0.942 . . . . 0.0 110.018 -176.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.728 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 1.2 mmtt -76.92 -28.13 55.16 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.138 0.97 . . . . 0.0 111.856 -175.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.52 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 13.4 m-80 -111.64 11.02 21.11 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.734 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 43.81 83.07 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.407 1.099 . . . . 0.0 111.274 -172.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.52 ' CE2' ' HB3' ' A' ' 34' ' ' ASN . 27.9 m0 -125.29 174.61 8.01 Favored 'General case' 0 C--O 1.248 0.998 0 O-C-N 121.173 -0.955 . . . . 0.0 110.033 -176.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -107.57 63.75 0.63 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 122.277 1.036 . . . . 0.0 110.511 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.8 t -37.44 110.71 0.13 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.793 1.282 . . . . 0.0 111.264 172.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.482 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 115.195 -0.912 . . . . 0.0 109.911 170.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.5 p -72.82 172.31 11.05 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 122.698 1.237 . . . . 0.0 112.733 -170.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.807 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 6.6 t0 -68.68 -41.26 79.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.499 -178.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.532 HG23 ' CE3' ' A' ' 36' ' ' TRP . 1.8 mm -59.73 -29.18 42.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -177.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.7 m -77.86 -33.16 52.27 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.939 1.352 . . . . 0.0 110.111 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.807 ' HG3' ' HA ' ' A' ' 12' ' ' ASP . 21.0 mtp180 -50.39 -63.84 1.0 Allowed 'General case' 0 C--O 1.242 0.68 0 CA-C-O 123.265 1.507 . . . . 0.0 111.091 170.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.603 HD11 ' O ' ' A' ' 12' ' ' ASP . 2.9 mp -65.21 -52.41 54.92 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 120.685 -1.259 . . . . 0.0 110.776 -168.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.729 ' HB2' HD21 ' A' ' 19' ' ' LEU . 5.1 mptt -75.71 -18.75 59.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.472 -173.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.0 mttp 59.02 74.22 0.45 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 123.892 1.806 . . . . 0.0 109.208 -171.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.729 HD21 ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -121.29 165.8 14.95 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.187 -1.369 . . . . 0.0 109.804 -178.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.775 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -87.58 135.61 33.28 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.568 0.699 . . . . 0.0 110.629 172.013 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.1 t -118.36 79.42 1.38 Allowed 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.844 -0.535 . . . . 0.0 112.392 -170.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.611 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 10.1 p -39.45 -29.71 0.05 Allowed 'General case' 0 C--O 1.243 0.74 0 O-C-N 121.425 -0.797 . . . . 0.0 112.882 168.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.611 ' HB2' ' O ' ' A' ' 22' ' ' SER . 2.9 mttp 87.88 7.9 0.18 Allowed 'General case' 0 C--O 1.255 1.384 0 C-N-CA 124.647 1.179 . . . . 0.0 113.717 169.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 1.033 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.5 pt-20 -46.35 156.37 0.17 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 122.783 1.277 . . . . 0.0 110.618 169.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.418 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 4.2 mttt -137.81 147.81 58.31 Favored Pre-proline 0 C--O 1.244 0.765 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.154 -168.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.489 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 97.5 Cg_endo -65.98 -42.21 0.67 Allowed 'Cis proline' 0 N--CA 1.531 3.705 0 N-CA-C 115.726 1.395 . . . . 0.0 115.726 -3.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.561 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -103.11 133.05 48.87 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 120.926 -1.109 . . . . 0.0 110.38 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.033 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -55.9 -175.49 0.01 OUTLIER 'General case' 0 C--O 1.241 0.639 0 CA-C-O 122.682 1.229 . . . . 0.0 110.205 173.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 33' ' ' LYS . . . -58.2 -43.88 87.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.735 1.255 . . . . 0.0 109.873 170.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.581 ' HG3' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -53.1 -68.29 0.18 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 -178.162 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.561 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 55.5 m -57.22 -37.63 72.54 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.782 -0.574 . . . . 0.0 110.454 -175.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.721 ' O ' HD21 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -59.73 -39.2 83.89 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 122.131 0.967 . . . . 0.0 110.192 179.117 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 29.9 mmtt -68.1 -31.47 71.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 123.16 1.457 . . . . 0.0 110.835 -177.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.544 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . 2.7 m120 -110.28 2.04 18.95 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-N 114.981 -1.008 . . . . 0.0 112.615 -170.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 47.98 78.32 0.08 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.607 1.194 . . . . 0.0 110.82 -171.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.544 ' CD2' ' HB2' ' A' ' 34' ' ' ASN . 18.0 m0 -126.0 178.22 5.88 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 123.695 0.798 . . . . 0.0 110.752 -172.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.637 ' HG2' ' HD3' ' A' ' 39' ' ' ARG . 6.1 tt0 -107.1 64.75 0.64 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.075 0.94 . . . . 0.0 111.59 -178.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.404 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 11.2 t -45.99 98.31 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.202 1.001 . . . . 0.0 111.435 172.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.637 ' HD3' ' HG2' ' A' ' 37' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.698 0 CA-C-O 122.842 1.306 . . . . 0.0 113.635 178.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.263 1.786 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.505 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 20.5 p -65.22 159.26 24.08 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 123.235 1.493 . . . . 0.0 113.124 -167.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.525 ' O ' ' HB3' ' A' ' 16' ' ' LEU . 11.7 t70 -60.28 -32.08 70.85 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.401 -177.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.8 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -70.27 -33.21 53.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.451 0.643 . . . . 0.0 112.67 -176.459 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.434 ' HA ' HD11 ' A' ' 19' ' ' LEU . 2.5 m -82.68 -38.23 23.72 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.855 0.836 . . . . 0.0 111.453 -172.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -67.79 -59.01 3.65 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 172.112 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.525 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -48.11 -56.42 7.85 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 120.962 -1.086 . . . . 0.0 110.282 174.185 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.8 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 10.7 mmtt -78.02 -10.47 59.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.32 -176.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 mttm 58.21 29.07 17.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 123.98 1.848 . . . . 0.0 112.23 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.767 ' CD2' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -96.72 174.46 6.8 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.191 -1.368 . . . . 0.0 111.029 174.138 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mtmm -89.01 147.29 24.36 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.323 -172.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.496 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 8.5 t -124.6 94.76 4.29 Favored 'General case' 0 C--O 1.244 0.8 0 O-C-N 121.525 -0.734 . . . . 0.0 112.823 -171.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.2 p -49.99 -17.53 0.41 Allowed 'General case' 0 C--O 1.25 1.115 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 167.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 21' ' ' CYS . 0.9 OUTLIER 63.83 -4.39 0.36 Allowed 'General case' 0 C--O 1.263 1.814 0 N-CA-C 118.061 2.615 . . . . 0.0 118.061 -178.481 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 1.124 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.6 pt-20 -43.51 160.79 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 121.481 1.946 . . . . 0.0 110.73 170.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 1.9 mtpm? -136.08 149.98 69.87 Favored Pre-proline 0 C--O 1.242 0.68 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.424 -168.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.489 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 95.7 Cg_endo -66.36 -43.27 0.56 Allowed 'Cis proline' 0 N--CA 1.532 3.782 0 N-CA-C 115.754 1.405 . . . . 0.0 115.754 -3.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.494 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -100.25 139.04 36.49 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 120.981 -1.074 . . . . 0.0 109.53 175.547 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.124 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.5 p -53.88 179.53 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.798 1.285 . . . . 0.0 109.848 171.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.428 ' N ' ' CD ' ' A' ' 24' ' ' GLU . . . -51.23 -46.36 62.24 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.963 1.363 . . . . 0.0 109.555 171.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.631 ' HG2' ' HZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -69.62 -50.11 47.41 Favored 'General case' 0 C--O 1.266 1.948 0 N-CA-C 116.542 2.053 . . . . 0.0 116.542 -169.731 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.456 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 67.9 m -57.91 -38.88 76.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 120.321 1.419 . . . . 0.0 108.981 179.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.445 ' C ' HD12 ' A' ' 32' ' ' LEU . 2.7 tm? -62.02 -36.53 81.84 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.424 0.631 . . . . 0.0 110.599 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -70.46 -29.71 66.33 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 123.294 1.521 . . . . 0.0 111.313 -178.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.497 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . 28.1 m120 -107.87 -1.32 20.87 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 124.696 1.198 . . . . 0.0 112.021 -172.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.29 78.19 0.09 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 122.905 1.336 . . . . 0.0 110.846 -170.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.631 ' HZ3' ' HG2' ' A' ' 30' ' ' LYS . 15.8 m0 -123.02 178.22 5.17 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 124.281 1.032 . . . . 0.0 110.423 -172.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.74 63.95 0.62 Allowed 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.174 -0.953 . . . . 0.0 111.45 -177.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.434 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 20.1 t -50.19 96.71 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.494 1.14 . . . . 0.0 111.731 175.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.321 -0.671 0 CA-C-O 123.325 1.536 . . . . 0.0 114.112 173.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.168 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.4 p -53.42 170.81 0.09 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 122.739 1.257 . . . . 0.0 112.007 -178.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -73.59 -29.07 62.17 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.929 -174.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.823 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 17.6 mm -74.19 -22.37 18.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.0 m -78.82 -37.04 41.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.179 0.99 . . . . 0.0 110.57 176.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.498 ' HG2' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -54.26 -61.86 2.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 123.148 1.451 . . . . 0.0 112.158 170.523 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.808 HD22 HD11 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -68.64 -43.1 77.01 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 120.502 -1.374 . . . . 0.0 110.381 -169.538 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.939 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -77.92 -24.32 48.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.995 -176.665 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.409 ' C ' HD12 ' A' ' 19' ' ' LEU . 22.6 mtmm 59.1 73.31 0.49 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 123.546 1.641 . . . . 0.0 110.729 -170.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.939 ' CD2' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -127.54 -175.74 3.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 122.678 1.228 . . . . 0.0 109.78 172.662 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.9 153.73 20.41 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.861 170.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.647 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 2.0 t -126.07 80.26 1.9 Allowed 'General case' 0 C--N 1.32 -0.676 0 O-C-N 121.766 -0.584 . . . . 0.0 112.047 -178.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.624 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 4.9 p -39.94 -35.01 0.32 Allowed 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.508 -0.745 . . . . 0.0 112.65 170.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.647 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 10.1 mttt 84.64 76.64 0.02 OUTLIER 'General case' 0 C--O 1.269 2.114 0 C-N-CA 124.054 0.942 . . . . 0.0 111.065 169.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 1.009 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.6 pt-20 -132.25 167.63 19.5 Favored 'General case' 0 C--N 1.315 -0.893 0 O-C-N 118.196 -2.815 . . . . 0.0 109.438 -174.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 1.1 mttp -126.35 139.7 35.26 Favored Pre-proline 0 CA--C 1.509 -0.619 0 O-C-N 121.225 -0.922 . . . . 0.0 112.735 -168.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.497 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 87.0 Cg_endo -66.7 -47.86 0.25 Allowed 'Cis proline' 0 N--CA 1.535 3.946 0 N-CA-C 116.106 1.541 . . . . 0.0 116.106 -2.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -104.28 151.18 23.72 Favored 'General case' 0 C--O 1.255 1.359 0 O-C-N 120.672 -1.267 . . . . 0.0 109.748 -176.906 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.009 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -54.01 -175.57 0.01 OUTLIER 'General case' 0 C--O 1.248 0.978 0 CA-C-O 123.08 1.419 . . . . 0.0 109.148 169.365 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.679 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -59.02 -41.93 88.96 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 123.354 1.549 . . . . 0.0 109.658 168.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.871 ' HE2' ' HG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -48.49 -72.26 0.05 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 178.426 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.678 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 56.3 m -60.94 -39.36 89.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.47 -171.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.593 HD11 ' HG3' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -56.36 -40.94 75.34 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.24 1.019 . . . . 0.0 109.618 178.422 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.679 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 6.0 mttm -70.6 -30.21 66.82 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.357 1.075 . . . . 0.0 110.985 -174.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.525 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 0.9 OUTLIER -119.41 26.15 9.61 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.055 -174.583 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 40.02 66.84 0.54 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 125.306 2.479 . . . . 0.0 111.811 174.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.56 ' CE3' HG23 ' A' ' 13' ' ' ILE . 25.1 m0 -119.16 173.28 7.02 Favored 'General case' 0 C--O 1.248 0.994 0 O-C-N 120.438 -1.414 . . . . 0.0 110.228 -171.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.69 65.98 0.65 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.039 0.924 . . . . 0.0 110.783 -175.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.447 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 10.8 t -40.69 99.19 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.834 1.302 . . . . 0.0 111.375 172.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.622 ' CZ ' ' HB2' ' A' ' 39' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 124.543 2.116 . . . . 0.0 112.21 175.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.528 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.0 p -71.65 173.92 7.44 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 120.937 1.699 . . . . 0.0 110.916 -171.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.533 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 8.0 t70 -65.73 -48.39 72.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.534 0.683 . . . . 0.0 110.596 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mm -49.23 -35.25 7.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -177.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.4 m -76.54 -35.71 58.09 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.282 1.039 . . . . 0.0 109.669 -177.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.686 ' HD3' ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -49.79 -59.9 3.39 Favored 'General case' 0 C--O 1.246 0.891 0 CA-C-O 122.974 1.369 . . . . 0.0 111.789 172.041 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.686 ' CD1' ' HD3' ' A' ' 15' ' ' ARG . 8.6 mp -68.08 -48.44 65.53 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 120.183 -1.573 . . . . 0.0 110.584 -167.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.971 ' HB2' HD21 ' A' ' 19' ' ' LEU . 13.7 mmmt -77.0 -17.9 58.56 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.691 -172.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt 63.51 75.08 0.4 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 123.977 1.846 . . . . 0.0 109.281 -171.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 1.018 ' CD2' ' HE2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -129.75 168.89 15.84 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.161 -1.382 . . . . 0.0 110.121 -174.763 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 15.5 mtmt -89.14 156.86 18.54 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.478 169.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.4 t -140.35 78.44 1.66 Allowed 'General case' 0 C--O 1.246 0.879 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -173.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.599 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 6.3 p -39.17 -25.95 0.02 OUTLIER 'General case' 0 C--O 1.246 0.881 0 O-C-N 121.241 -0.912 . . . . 0.0 113.235 168.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.599 ' HB2' ' O ' ' A' ' 22' ' ' SER . 2.1 mttp 83.93 4.69 0.76 Allowed 'General case' 0 C--O 1.252 1.196 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 169.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 1.073 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.2 pt-20 -46.65 159.59 0.09 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.718 1.247 . . . . 0.0 111.612 171.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 5.7 mtpt -138.25 154.06 73.56 Favored Pre-proline 0 C--O 1.245 0.831 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.762 -170.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.476 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 81.6 Cg_endo -64.21 -41.04 0.7 Allowed 'Cis proline' 0 N--CA 1.529 3.608 0 N-CA-C 115.536 1.322 . . . . 0.0 115.536 -3.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.649 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -105.05 139.35 39.86 Favored 'General case' 0 C--O 1.246 0.878 0 O-C-N 121.082 -1.011 . . . . 0.0 110.203 174.394 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.073 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.7 p -54.28 -177.37 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.834 1.302 . . . . 0.0 109.891 171.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.442 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -52.56 -46.98 67.06 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.872 1.32 . . . . 0.0 109.678 170.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 1.018 ' HE2' ' CD2' ' A' ' 19' ' ' LEU . 9.0 tttt -68.75 -50.45 50.46 Favored 'General case' 0 C--O 1.262 1.747 0 N-CA-C 116.85 2.167 . . . . 0.0 116.85 -169.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.649 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 62.3 m -58.81 -38.35 78.44 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 120.331 -1.481 . . . . 0.0 109.02 177.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.689 HD22 ' O ' ' A' ' 32' ' ' LEU . 1.9 tt -60.47 -37.11 79.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.152 0.977 . . . . 0.0 110.304 177.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 18.3 mttp -70.33 -30.41 67.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.486 1.136 . . . . 0.0 111.362 -175.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.529 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 30.6 m-80 -114.86 7.7 15.78 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.922 -173.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 45.29 84.58 0.02 OUTLIER 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 122.117 0.96 . . . . 0.0 111.995 -171.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.622 ' CZ3' ' HG2' ' A' ' 30' ' ' LYS . 18.6 m0 -128.68 177.34 7.12 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.208 -0.933 . . . . 0.0 110.697 -171.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -106.94 64.16 0.64 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.18 0.99 . . . . 0.0 110.917 -179.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 20.5 t -43.46 94.83 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.511 1.148 . . . . 0.0 112.018 172.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.321 -0.643 0 CA-C-O 123.597 1.665 . . . . 0.0 113.068 -175.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.344 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 26.4 p -72.68 173.73 8.6 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 122.87 1.319 . . . . 0.0 113.425 -169.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.84 ' HB3' ' HB3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -57.88 -59.37 5.34 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.067 174.353 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.887 HG22 ' HD2' ' A' ' 17' ' ' LYS . 1.8 mm -51.4 -31.64 12.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -171.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.0 m -79.02 -33.46 44.86 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.734 1.254 . . . . 0.0 110.555 -177.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.798 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 50.2 mtp85 -51.61 -62.16 1.8 Allowed 'General case' 0 C--O 1.242 0.706 0 CA-C-O 123.037 1.399 . . . . 0.0 111.647 170.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.0 -50.78 64.95 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 120.608 -1.308 . . . . 0.0 110.499 -169.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 1.022 ' HD3' ' CD2' ' A' ' 19' ' ' LEU . 4.0 mtpp -77.0 -20.89 55.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.008 0.908 . . . . 0.0 111.911 -174.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER 57.69 72.21 0.53 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 124.441 2.067 . . . . 0.0 108.949 -169.687 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 1.022 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -120.29 -176.86 3.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 113.692 -1.594 . . . . 0.0 110.563 -172.129 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -88.8 143.6 26.79 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.34 0.591 . . . . 0.0 111.39 173.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 7.7 t -134.56 77.88 1.72 Allowed 'General case' 0 C--O 1.242 0.676 0 O-C-N 121.717 -0.614 . . . . 0.0 112.507 -178.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.69 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 3.9 p -40.01 -29.47 0.07 Allowed 'General case' 0 C--O 1.246 0.885 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 170.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.69 ' HB2' ' O ' ' A' ' 22' ' ' SER . 35.8 mttt 86.31 79.11 0.02 OUTLIER 'General case' 0 C--O 1.273 2.334 0 C-N-CA 124.287 1.035 . . . . 0.0 111.33 170.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 1.087 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -141.34 167.65 21.66 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 118.05 -2.906 . . . . 0.0 110.199 -173.256 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -127.82 138.49 33.02 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-O 121.82 0.819 . . . . 0.0 112.159 -169.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.522 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 87.0 Cg_endo -67.31 -47.97 0.25 Allowed 'Cis proline' 0 N--CA 1.536 3.99 0 N-CA-C 116.481 1.685 . . . . 0.0 116.481 -3.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.782 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -103.8 146.43 28.65 Favored 'General case' 0 C--O 1.252 1.209 0 O-C-N 120.675 -1.266 . . . . 0.0 109.647 -176.449 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.087 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.2 p -52.12 179.78 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 123.047 1.403 . . . . 0.0 109.356 170.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.06 -44.66 71.27 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 123.298 1.523 . . . . 0.0 109.344 169.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.883 ' HE2' ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -67.84 -45.97 73.13 Favored 'General case' 0 C--O 1.27 2.142 0 N-CA-C 115.961 1.838 . . . . 0.0 115.961 -169.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.782 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 72.3 m -65.33 -38.06 88.99 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 120.146 -1.596 . . . . 0.0 108.51 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -38.01 73.22 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.324 1.059 . . . . 0.0 110.375 175.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -71.85 -27.78 63.11 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.251 -173.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.539 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 14.3 m-80 -118.88 9.14 11.88 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.291 -175.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 47.17 83.83 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 122.092 0.949 . . . . 0.0 111.085 -171.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.647 ' CH2' ' HE2' ' A' ' 17' ' ' LYS . 22.5 m0 -127.3 172.22 10.8 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.758 0.79 . . . . 0.0 110.343 -174.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 29.7 tt0 -102.21 58.83 0.82 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.969 0.89 . . . . 0.0 111.044 -172.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.2 t -47.46 111.18 0.38 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 123.342 1.544 . . . . 0.0 111.863 -177.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.84 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--O 1.245 0.838 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.579 168.399 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.263 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.8 p -78.01 177.11 8.55 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 120.694 -1.254 . . . . 0.0 111.249 -174.117 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -58.95 -39.31 81.28 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.577 0.703 . . . . 0.0 111.056 177.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.454 HG21 ' CD1' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -65.8 -36.86 78.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -173.828 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.637 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 10.9 m -79.57 -35.71 39.35 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.36 1.076 . . . . 0.0 110.565 -174.324 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.97 ' CG ' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -52.17 -61.8 2.04 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 122.706 1.241 . . . . 0.0 111.313 170.497 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.97 HD21 ' CG ' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -62.14 -54.23 44.04 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.914 1.34 . . . . 0.0 110.338 -169.521 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.909 ' HE3' HD23 ' A' ' 19' ' ' LEU . 5.4 mmmt -77.9 -19.5 54.61 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.803 -172.128 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt 60.5 75.05 0.42 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 123.201 1.477 . . . . 0.0 109.487 -171.028 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.909 HD23 ' HE3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -131.61 -178.13 4.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.365 179.835 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -88.66 147.32 24.59 Favored 'General case' 0 C--O 1.243 0.726 0 O-C-N 121.649 -0.657 . . . . 0.0 111.372 -178.006 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.637 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 43.4 t -145.11 87.11 1.8 Allowed 'General case' 0 C--O 1.243 0.734 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -171.92 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.567 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 39.8 p -67.59 5.19 0.86 Allowed 'General case' 0 C--O 1.253 1.288 0 N-CA-C 116.491 2.034 . . . . 0.0 116.491 171.776 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.567 ' HB2' ' O ' ' A' ' 22' ' ' SER . 0.0 OUTLIER 73.0 -8.17 1.34 Allowed 'General case' 0 C--O 1.257 1.457 0 N-CA-C 116.955 2.206 . . . . 0.0 116.955 169.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.968 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 3.0 pt-20 -41.4 153.41 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 123.378 1.561 . . . . 0.0 111.017 172.376 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 4.4 mttt -133.22 151.58 77.94 Favored Pre-proline 0 C--O 1.244 0.786 0 CA-C-N 114.661 -1.154 . . . . 0.0 112.151 -168.727 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.677 ' HG2' ' HE2' ' A' ' 27' ' ' LYS . 87.8 Cg_endo -64.6 -42.0 0.63 Allowed 'Cis proline' 0 N--CA 1.53 3.621 0 N-CA-C 115.144 1.171 . . . . 0.0 115.144 -3.426 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.677 ' HE2' ' HG2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -102.92 140.84 36.68 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.213 -0.929 . . . . 0.0 110.562 175.496 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.968 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -55.78 -175.43 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 122.639 1.209 . . . . 0.0 110.598 172.334 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.724 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -60.83 -40.21 91.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 123.168 1.461 . . . . 0.0 109.894 170.874 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.546 ' HG3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -46.49 -72.93 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 114.644 1.349 . . . . 0.0 114.644 175.224 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.525 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 61.3 m -60.42 -40.26 90.36 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.806 -171.631 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 tt -56.6 -40.1 74.7 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.146 0.974 . . . . 0.0 109.571 179.313 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.724 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 25.9 mttp -71.27 -27.48 63.47 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.994 -174.395 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.469 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 29.9 m-80 -123.99 29.08 6.58 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -176.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 43.18 60.78 2.41 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 125.091 2.377 . . . . 0.0 113.414 171.338 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.475 ' HB2' ' CB ' ' A' ' 31' ' ' CYS . 25.6 m0 -114.75 172.0 7.3 Favored 'General case' 0 C--O 1.242 0.699 0 O-C-N 120.016 -1.677 . . . . 0.0 110.432 -169.856 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -105.95 62.17 0.66 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.593 0.711 . . . . 0.0 110.787 -174.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.501 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.4 t -43.61 97.56 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.31 1.052 . . . . 0.0 112.074 174.35 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 . . . . . 0 C--N 1.32 -0.686 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.789 171.901 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -77.2 175.04 10.05 Favored 'General case' 0 C--N 1.317 -0.829 0 O-C-N 120.953 -1.092 . . . . 0.0 111.292 -171.394 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -42.4 97.57 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.599 0.714 . . . . 0.0 110.758 177.405 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.522 HG23 ' CE3' ' A' ' 36' ' ' TRP . 1.3 mm -60.16 -34.23 56.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -173.134 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.433 ' HA ' HD23 ' A' ' 19' ' ' LEU . 99.1 m -78.85 -30.25 45.04 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 122.545 1.164 . . . . 0.0 110.485 -178.347 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.88 ' HG2' HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -53.31 -59.45 4.55 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-O 122.326 1.06 . . . . 0.0 111.722 170.322 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.88 HD23 ' HG2' ' A' ' 15' ' ' ARG . 2.6 mm? -67.66 -51.99 43.29 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 120.612 -1.305 . . . . 0.0 110.903 -170.561 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.567 ' HB2' HD23 ' A' ' 19' ' ' LEU . 10.3 mttt -70.12 -17.87 63.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.315 -177.903 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt 67.4 45.61 1.56 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 123.204 1.478 . . . . 0.0 113.312 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.567 HD23 ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -98.67 -174.61 2.84 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.647 1.213 . . . . 0.0 109.96 170.354 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.517 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.1 OUTLIER -87.86 -151.96 0.2 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.039 170.303 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.732 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 6.2 t -174.31 89.92 0.06 Allowed 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 121.693 0.758 . . . . 0.0 113.029 170.674 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.6 p -43.5 -34.97 1.49 Allowed 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.246 -0.909 . . . . 0.0 113.245 168.617 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.732 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 9.1 mttt 88.54 12.02 0.09 Allowed 'General case' 0 C--O 1.256 1.446 0 C-N-CA 124.574 1.15 . . . . 0.0 113.459 170.91 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.902 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.5 pt-20 -46.71 150.61 0.68 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 119.639 1.108 . . . . 0.0 109.86 167.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 13.7 mttp -133.0 151.27 77.65 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-O 121.899 0.857 . . . . 0.0 112.48 -166.221 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.477 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 94.4 Cg_endo -65.82 -43.05 0.56 Allowed 'Cis proline' 0 N--CA 1.532 3.774 0 N-CA-C 115.698 1.384 . . . . 0.0 115.698 -3.478 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.676 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 11.8 mtmt -99.64 137.05 38.66 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 120.907 -1.121 . . . . 0.0 109.635 175.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.902 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -53.54 -179.64 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.887 1.327 . . . . 0.0 109.786 171.712 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.467 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -51.6 -46.26 63.49 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 123.02 1.39 . . . . 0.0 109.715 170.568 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.622 ' HG2' ' HZ3' ' A' ' 36' ' ' TRP . 2.4 tttp -67.84 -52.54 35.66 Favored 'General case' 0 C--O 1.262 1.726 0 N-CA-C 116.571 2.063 . . . . 0.0 116.571 -169.372 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.676 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 60.1 m -56.97 -41.12 77.78 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 120.385 -1.447 . . . . 0.0 108.986 177.913 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -60.75 -36.06 77.96 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 122.147 0.975 . . . . 0.0 109.866 -178.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 9.5 mttp -73.8 -28.92 61.89 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.548 1.166 . . . . 0.0 111.814 -174.349 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.525 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 32.2 m-20 -111.72 4.33 18.43 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 123.676 0.79 . . . . 0.0 111.742 -175.902 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 51.16 83.5 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.204 1.002 . . . . 0.0 110.565 -173.064 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.622 ' HZ3' ' HG2' ' A' ' 30' ' ' LYS . 25.1 m0 -129.46 177.47 7.17 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.769 0.795 . . . . 0.0 110.566 -174.344 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.55 65.34 0.64 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.85 0.833 . . . . 0.0 111.264 -179.76 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.429 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 16.0 t -45.07 97.11 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.787 0.803 . . . . 0.0 111.151 171.684 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.529 0 CA-C-O 122.288 1.042 . . . . 0.0 113.677 175.43 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.557 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.3 p -77.66 174.55 10.81 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 120.931 1.696 . . . . 0.0 111.797 -169.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.789 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 0.9 OUTLIER -61.94 -30.8 71.15 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.354 -0.841 . . . . 0.0 112.179 177.868 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.596 HG22 ' CE3' ' A' ' 36' ' ' TRP . 8.5 mm -76.1 -30.9 20.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -172.139 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.538 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 2.6 m -80.02 -39.29 30.24 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.422 -0.799 . . . . 0.0 110.578 -178.229 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.789 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 2.0 ptm180 -54.11 -59.08 5.13 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-O 122.515 1.15 . . . . 0.0 111.45 170.481 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.448 ' HG ' ' N ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -63.0 -52.43 63.01 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 120.279 -1.513 . . . . 0.0 109.998 -169.268 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.723 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -78.9 -20.44 49.4 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.079 -172.348 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt 61.04 75.36 0.41 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 123.445 1.593 . . . . 0.0 109.482 -170.295 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.968 HD11 ' HG2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -130.28 -176.91 4.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.66 -1.154 . . . . 0.0 110.307 177.543 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.542 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 1.2 ptmt -88.57 141.69 28.32 Favored 'General case' 0 C--O 1.244 0.795 0 O-C-N 121.766 -0.584 . . . . 0.0 111.21 178.509 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.538 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 7.0 t -134.78 65.87 1.55 Allowed 'General case' 0 C--O 1.242 0.674 0 CA-C-O 122.124 0.964 . . . . 0.0 112.78 -173.842 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.641 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -44.51 -12.18 0.01 OUTLIER 'General case' 0 C--O 1.253 1.266 0 O-C-N 121.087 -1.008 . . . . 0.0 113.254 168.079 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.641 ' HB2' ' O ' ' A' ' 22' ' ' SER . 20.1 mttt 84.34 -6.43 1.03 Allowed 'General case' 0 C--O 1.253 1.248 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 165.904 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 1.004 ' HG2' ' HA ' ' A' ' 28' ' ' CYS . 2.0 pm0 -42.23 158.22 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 123.386 1.565 . . . . 0.0 113.215 177.388 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.427 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 0.8 OUTLIER -134.93 156.14 78.68 Favored Pre-proline 0 C--O 1.246 0.91 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.704 -171.126 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.479 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 80.4 Cg_endo -63.04 -40.34 0.7 Allowed 'Cis proline' 0 N--CA 1.53 3.627 0 N-CA-C 115.379 1.261 . . . . 0.0 115.379 -2.62 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.93 ' HE3' ' CB ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -107.3 142.46 37.04 Favored 'General case' 0 C--O 1.251 1.152 0 O-C-N 121.291 -0.88 . . . . 0.0 110.093 173.313 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.004 ' HA ' ' HG2' ' A' ' 24' ' ' GLU . 1.7 p -54.02 -174.56 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.906 1.336 . . . . 0.0 110.355 170.507 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.85 -42.39 89.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 123.244 1.497 . . . . 0.0 109.657 170.281 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.968 ' HG2' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -46.05 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 176.093 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.91 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 58.2 m -60.75 -39.66 89.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.613 -170.737 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.84 -37.37 79.07 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 122.249 1.024 . . . . 0.0 109.914 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -71.59 -27.99 63.52 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.134 0.968 . . . . 0.0 111.3 -174.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.555 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 41.0 m-80 -115.63 5.49 14.33 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.68 -175.135 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 49.82 82.61 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 122.159 0.981 . . . . 0.0 110.699 -171.281 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.861 ' CZ3' ' HE2' ' A' ' 30' ' ' LYS . 31.7 m0 -127.26 172.66 10.4 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.849 0.833 . . . . 0.0 110.211 -176.809 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -103.35 60.23 0.76 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.857 0.837 . . . . 0.0 110.566 -176.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.93 ' CB ' ' HE3' ' A' ' 27' ' ' LYS . 13.7 t -36.36 95.68 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 123.984 0.914 . . . . 0.0 112.582 172.345 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.654 0 CA-C-O 125.24 2.448 . . . . 0.0 112.38 179.688 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.229 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.9 p -69.21 175.47 3.86 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 122.512 1.149 . . . . 0.0 111.366 -170.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.921 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -70.5 -35.9 73.48 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 121.4 -0.812 . . . . 0.0 112.568 -175.548 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.729 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 2.3 mm -72.68 -28.35 27.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.559 0.695 . . . . 0.0 112.175 -172.103 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.3 m -78.47 -35.03 47.17 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.811 0.815 . . . . 0.0 110.567 178.059 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 1.113 ' HG3' HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -53.4 -62.0 1.94 Allowed 'General case' 0 C--O 1.245 0.85 0 CA-C-O 122.423 1.106 . . . . 0.0 111.487 172.07 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 1.113 HD12 ' HG3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -70.14 -42.65 72.27 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.974 1.369 . . . . 0.0 110.326 -169.168 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.729 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 1.4 tptt -76.11 -22.35 55.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.991 -175.048 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.6 mttm 60.12 72.83 0.51 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 124.859 2.266 . . . . 0.0 109.626 -171.696 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.935 HD22 ' HE2' ' A' ' 30' ' ' LYS . 0.7 OUTLIER -127.38 174.53 8.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 113.576 -1.647 . . . . 0.0 110.217 -173.128 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.93 143.84 26.59 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.323 170.43 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 t -127.73 76.93 1.72 Allowed 'General case' 0 C--O 1.243 0.744 0 CA-C-O 121.588 0.709 . . . . 0.0 112.461 -172.675 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.601 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.9 p -44.23 -13.72 0.02 OUTLIER 'General case' 0 C--O 1.245 0.844 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 167.099 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.601 ' HB2' ' O ' ' A' ' 22' ' ' SER . 7.3 mttt 91.02 -46.23 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 125.079 1.352 . . . . 0.0 113.311 169.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.888 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 3.3 pt-20 -21.14 144.01 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 126.321 2.962 . . . . 0.0 115.885 -165.122 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 8.5 mttt -117.73 148.73 43.75 Favored Pre-proline 0 CA--C 1.51 -0.584 0 O-C-N 119.802 -1.811 . . . . 0.0 112.66 -165.656 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.468 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 97.7 Cg_endo -65.6 -41.75 0.71 Allowed 'Cis proline' 0 N--CA 1.534 3.872 0 N-CA-C 115.876 1.452 . . . . 0.0 115.876 -3.372 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.519 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -106.7 139.69 40.73 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 121.198 -0.939 . . . . 0.0 110.21 177.215 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.888 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -55.23 179.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 122.505 1.145 . . . . 0.0 110.608 176.16 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.795 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -56.05 -40.69 73.91 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 123.52 1.629 . . . . 0.0 109.408 170.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.935 ' HE2' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -50.68 -70.42 0.09 Allowed 'General case' 0 C--O 1.239 0.531 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 177.898 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 57.3 m -58.28 -40.65 82.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.465 0.65 . . . . 0.0 110.483 -173.018 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.733 ' O ' HD21 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -58.33 -38.29 76.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 122.243 1.02 . . . . 0.0 110.517 179.423 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.795 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 16.0 mtmt -71.64 -28.94 64.11 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.117 0.961 . . . . 0.0 111.205 -174.673 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.544 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 36.2 m-80 -112.61 4.09 17.06 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.485 -174.921 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 51.74 82.35 0.07 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.194 0.997 . . . . 0.0 110.4 -171.885 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.608 ' HZ3' ' HG3' ' A' ' 30' ' ' LYS . 24.9 m0 -129.05 175.15 8.91 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.775 0.798 . . . . 0.0 110.721 -175.053 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -104.3 76.77 1.35 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.953 0.882 . . . . 0.0 110.499 177.221 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.491 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 17.6 t -52.79 95.27 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.209 1.004 . . . . 0.0 110.823 171.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.612 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 1.5 ttm-85 . . . . . 0 C--N 1.319 -0.718 0 CA-C-O 124.18 1.943 . . . . 0.0 112.121 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.4 mmt . . . . . 0 C--O 1.24 0.569 0 CA-C-O 121.549 0.69 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.31 118.08 2.55 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.91 0.862 . . . . 0.0 111.372 -174.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 73.43 139.07 0.06 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.956 0.884 . . . . 0.0 111.232 172.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.8 mt -147.06 -48.7 0.18 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.788 0.804 . . . . 0.0 110.879 177.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.97 179.58 5.93 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.857 0.837 . . . . 0.0 111.059 -176.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.466 ' HB2' ' H ' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -67.4 -156.62 0.02 OUTLIER 'General case' 0 C--O 1.244 0.79 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.557 178.5 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.466 ' H ' ' HB2' ' A' ' 6' ' ' SER . 0.0 OUTLIER -148.79 25.51 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.793 0 CA-C-O 122.195 0.998 . . . . 0.0 110.582 173.191 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -145.46 88.32 1.85 Allowed 'General case' 0 C--N 1.32 -0.674 0 O-C-N 120.833 -1.167 . . . . 0.0 109.88 171.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 1.018 ' HB3' ' HD3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -75.12 125.47 29.0 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.087 -170.86 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' A' ' 9' ' ' GLN . . . 177.04 123.14 0.03 OUTLIER 'General case' 0 C--O 1.263 1.774 0 CA-C-O 118.593 -0.718 . . . . 0.0 109.89 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.825 ' HA ' ' HB3' ' A' ' 40' ' ' TYR . 31.5 p -72.66 170.16 15.1 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 121.195 1.816 . . . . 0.0 112.578 -168.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.703 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -58.47 -42.69 88.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.158 0.98 . . . . 0.0 110.54 -179.556 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.5 HG23 ' CE3' ' A' ' 36' ' ' TRP . 1.0 OUTLIER -65.43 -28.59 44.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.491 0.662 . . . . 0.0 112.658 -172.597 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.8 m -77.85 -32.82 52.28 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.859 1.314 . . . . 0.0 110.264 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.703 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -49.19 -64.6 0.76 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 123.688 1.709 . . . . 0.0 110.816 170.626 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.637 HD11 ' O ' ' A' ' 12' ' ' ASP . 2.2 mp -66.34 -51.39 57.7 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 120.515 -1.365 . . . . 0.0 110.743 -168.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.795 ' HB2' HD21 ' A' ' 19' ' ' LEU . 10.2 mmtm -75.81 -18.47 59.48 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.828 -172.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? 60.42 72.9 0.5 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 123.506 1.622 . . . . 0.0 109.311 -170.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.795 HD21 ' HB2' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -127.31 156.5 41.85 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.733 -176.066 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.72 146.85 35.7 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.447 0.641 . . . . 0.0 110.907 172.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.619 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 24.9 t -130.71 80.05 1.93 Allowed 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.728 -0.607 . . . . 0.0 112.14 -171.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.573 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 6.3 p -40.44 -26.93 0.04 OUTLIER 'General case' 0 C--O 1.247 0.95 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 169.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 1.018 ' HD3' ' HB3' ' A' ' 9' ' ' GLN . 13.7 mttt 84.89 9.19 0.4 Allowed 'General case' 0 C--O 1.251 1.168 0 O-C-N 120.834 -1.166 . . . . 0.0 113.61 170.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.98 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.7 pt-20 -46.29 152.91 0.38 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 122.472 1.13 . . . . 0.0 110.407 168.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.562 ' HE2' ' CE2' ' A' ' 40' ' ' TYR . 66.9 mttt -133.79 147.43 64.31 Favored Pre-proline 0 C--O 1.242 0.68 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.125 -167.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.483 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 98.2 Cg_endo -66.34 -45.21 0.36 Allowed 'Cis proline' 0 N--CA 1.532 3.742 0 N-CA-C 115.752 1.405 . . . . 0.0 115.752 -3.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.698 ' HD3' ' HB3' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -98.94 137.77 37.01 Favored 'General case' 0 C--O 1.245 0.835 0 O-C-N 120.623 -1.298 . . . . 0.0 110.066 178.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.98 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -57.35 -174.18 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.527 1.156 . . . . 0.0 110.446 174.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.612 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -63.25 -40.18 96.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 123.205 1.478 . . . . 0.0 109.943 170.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.741 ' HE2' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -45.86 -71.64 0.07 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 175.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.513 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 83.5 m -60.66 -39.87 89.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.551 -172.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.631 ' O ' HD21 ' A' ' 32' ' ' LEU . 2.9 tt -57.89 -37.11 73.38 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.301 1.048 . . . . 0.0 110.08 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.612 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 6.2 mtpp -71.9 -30.87 65.84 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.068 0.937 . . . . 0.0 111.15 -173.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.552 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 12.7 m-80 -112.5 5.76 18.16 Favored 'General case' 0 C--O 1.249 1.042 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.218 -175.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 51.43 82.37 0.06 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 122.464 1.126 . . . . 0.0 110.454 -171.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.568 ' HZ3' ' HG3' ' A' ' 30' ' ' LYS . 29.7 m0 -128.27 173.16 10.39 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-O 121.625 0.726 . . . . 0.0 110.395 -176.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -106.02 64.23 0.68 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.801 0.81 . . . . 0.0 110.557 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.698 ' HB3' ' HD3' ' A' ' 27' ' ' LYS . 9.8 t -44.96 97.99 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.458 1.123 . . . . 0.0 112.009 175.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.03 94.75 4.54 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.911 172.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.825 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 0.4 OUTLIER -99.07 55.05 1.0 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.966 1.365 . . . . 0.0 110.151 171.331 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.2 t -154.74 83.01 4.03 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-O 121.994 0.902 . . . . 0.0 110.464 171.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.427 ' HB2' ' H ' ' A' ' 43' ' ' LYS . 14.8 Cg_exo -41.81 -81.8 0.02 OUTLIER 'Trans proline' 0 N--CA 1.528 3.541 1 C-N-CA 126.666 4.91 . . . . 0.0 115.584 -176.838 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.427 ' H ' ' HB2' ' A' ' 42' ' ' PRO . 1.4 tptp . . . . . 0 C--O 1.27 2.169 0 CA-C-O 122.046 0.927 . . . . 0.0 111.167 -172.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.513 -0.457 0 CA-C-O 121.584 0.707 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.438 ' HB3' HD13 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -41.51 -83.3 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 123.449 0.7 . . . . 0.0 112.243 177.504 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.485 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -165.35 179.45 6.19 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.712 -0.618 . . . . 0.0 111.219 176.753 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.485 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER 114.93 26.91 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 127.539 2.335 . . . . 0.0 111.084 -175.378 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.73 -50.84 0.55 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.316 0.579 . . . . 0.0 111.279 -177.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 p 53.0 35.76 20.27 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.196 0.998 . . . . 0.0 111.043 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 162.49 135.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.256 1.443 0 C-N-CA 123.451 0.7 . . . . 0.0 109.312 -171.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.29 54.96 1.45 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 119.64 1.109 . . . . 0.0 112.469 -171.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.589 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 2.9 mt-30 -82.96 -174.34 5.22 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.659 168.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 9' ' ' GLN . . . 69.63 128.83 0.03 OUTLIER 'General case' 0 C--O 1.257 1.495 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 -167.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 39' ' ' ARG . 30.4 p -72.43 175.06 6.55 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 120.264 1.393 . . . . 0.0 113.433 -166.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.688 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 9.9 t70 -59.03 -49.28 78.49 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.069 175.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.56 HG13 ' HB3' ' A' ' 36' ' ' TRP . 3.0 mm -56.28 -30.58 30.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -172.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.2 m -77.42 -30.74 53.64 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 123.083 1.42 . . . . 0.0 109.899 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.688 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -52.36 -62.82 1.4 Allowed 'General case' 0 C--O 1.241 0.609 0 CA-C-O 122.849 1.309 . . . . 0.0 111.694 170.077 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.92 -52.65 58.84 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.457 1.123 . . . . 0.0 110.728 -169.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.887 ' HB2' HD21 ' A' ' 19' ' ' LEU . 5.0 mmmt -74.97 -21.15 59.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 122.103 0.954 . . . . 0.0 111.655 -175.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.18 74.95 0.37 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 124.715 2.198 . . . . 0.0 108.914 -169.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.906 HD22 ' HD3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -120.24 178.18 4.74 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 113.38 -1.736 . . . . 0.0 109.899 179.613 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -89.04 151.26 22.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.775 170.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.1 t -130.88 78.77 1.86 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.321 0.581 . . . . 0.0 112.526 -175.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.656 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 10.3 p -39.47 -29.86 0.06 Allowed 'General case' 0 C--O 1.244 0.77 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 169.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.656 ' HB2' ' O ' ' A' ' 22' ' ' SER . 7.7 mttp 87.64 7.52 0.2 Allowed 'General case' 0 C--O 1.252 1.191 0 C-N-CA 124.4 1.08 . . . . 0.0 113.737 169.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 1.102 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.8 pt-20 -44.66 159.56 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 122.659 1.219 . . . . 0.0 111.252 170.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.35 145.85 51.38 Favored Pre-proline 0 C--O 1.244 0.807 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.442 -169.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.548 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 99.0 Cg_endo -66.6 -45.9 0.33 Allowed 'Cis proline' 0 N--CA 1.531 3.705 0 N-CA-C 115.745 1.402 . . . . 0.0 115.745 -3.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.548 ' HG2' ' HG2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -96.52 138.04 34.7 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 120.603 -1.311 . . . . 0.0 109.541 179.621 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.102 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -56.25 -172.2 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 123.2 1.476 . . . . 0.0 110.359 172.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.747 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -63.63 -40.02 95.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 122.627 1.203 . . . . 0.0 110.578 170.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.906 ' HD3' HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -46.78 -72.57 0.05 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 173.605 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.441 ' HA ' ' HB2' ' A' ' 36' ' ' TRP . 35.4 m -72.23 -13.21 61.47 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.241 1.019 . . . . 0.0 113.706 -168.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.539 HD22 ' O ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -76.84 -43.63 35.45 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 119.984 -1.697 . . . . 0.0 110.241 167.757 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.747 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 4.5 mttm -69.2 -27.73 65.76 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.536 1.16 . . . . 0.0 111.292 -171.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.563 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 19.0 m-80 -114.66 -3.07 12.91 Favored 'General case' 0 C--O 1.254 1.337 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -171.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 59.33 51.96 6.34 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 125.081 2.372 . . . . 0.0 109.419 -175.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.563 ' CE2' ' HB3' ' A' ' 34' ' ' ASN . 42.9 m0 -98.83 172.86 7.17 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 114.228 -1.351 . . . . 0.0 110.881 169.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -108.24 71.24 0.79 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.008 0.908 . . . . 0.0 110.858 -173.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.426 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 10.6 t -45.67 107.05 0.09 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.929 1.347 . . . . 0.0 111.4 177.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.507 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -96.37 148.42 22.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.712 169.878 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -141.73 106.35 4.87 Favored 'General case' 0 C--O 1.248 1.012 0 O-C-N 121.575 -0.703 . . . . 0.0 110.907 -172.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.565 ' CB ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER 59.01 -175.55 0.03 OUTLIER Pre-proline 0 C--N 1.318 -0.798 0 CA-C-O 122.083 0.944 . . . . 0.0 111.88 170.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.565 ' CD ' ' CB ' ' A' ' 41' ' ' SER . 50.1 Cg_exo -59.27 -83.01 0.01 OUTLIER 'Trans proline' 0 N--CA 1.529 3.588 1 C-N-CA 126.538 4.825 . . . . 0.0 114.934 177.529 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.485 ' H ' ' HB2' ' A' ' 42' ' ' PRO . 74.9 mttt . . . . . 0 C--O 1.27 2.144 0 CA-C-O 121.953 0.882 . . . . 0.0 111.053 -172.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.4 mtp . . . . . 0 CA--C 1.511 -0.521 0 CA-C-O 121.612 0.72 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -127.43 122.67 34.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.992 0.901 . . . . 0.0 111.305 -172.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.48 -7.96 4.16 Favored 'General case' 0 C--O 1.247 0.939 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 172.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.64 29.5 0.47 Allowed 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.35 -0.844 . . . . 0.0 110.999 -174.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 6' ' ' SER . 8.2 t -152.63 95.33 2.0 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.823 0.821 . . . . 0.0 111.332 -173.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' A' ' 5' ' ' SER . 24.9 m 72.2 -166.61 0.13 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.103 0.954 . . . . 0.0 111.704 172.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.401 ' CG2' ' O ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -173.5 65.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 123.049 1.404 . . . . 0.0 110.454 -172.517 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.69 7.67 8.04 Favored 'General case' 0 C--O 1.246 0.91 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -168.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.547 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 4.5 mt-30 -84.63 -171.86 3.86 Favored 'General case' 0 C--N 1.316 -0.868 0 O-C-N 121.48 -0.762 . . . . 0.0 112.397 -172.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 9' ' ' GLN . . . 70.07 114.92 0.04 OUTLIER 'General case' 0 C--O 1.258 1.55 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -168.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 1.003 ' HA ' ' HB2' ' A' ' 40' ' ' TYR . 31.3 p -77.36 174.97 10.2 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 120.82 1.645 . . . . 0.0 113.452 -166.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.81 ' HA ' ' HD2' ' A' ' 15' ' ' ARG . 8.1 t70 -54.78 -43.32 72.7 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-O 122.35 1.071 . . . . 0.0 111.468 176.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.531 HG23 ' CE3' ' A' ' 36' ' ' TRP . 2.4 mm -65.18 -27.24 41.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -175.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.6 m -77.97 -36.42 49.05 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.395 0.617 . . . . 0.0 110.508 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.81 ' HD2' ' HA ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -52.4 -59.09 4.84 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-O 122.322 1.058 . . . . 0.0 111.452 171.139 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.78 -52.28 61.03 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 120.576 -1.327 . . . . 0.0 110.517 -168.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.585 ' HB2' HD21 ' A' ' 19' ' ' LEU . 2.3 mptp? -76.41 -20.07 57.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.133 -0.939 . . . . 0.0 111.791 -173.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? 61.08 71.54 0.56 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 123.737 1.732 . . . . 0.0 109.298 -171.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.793 ' CD2' ' HE2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -124.18 164.58 19.2 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.294 -1.321 . . . . 0.0 109.982 -172.496 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.507 ' H ' ' HG3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.14 138.93 31.01 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.408 0.623 . . . . 0.0 110.931 172.157 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.633 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 5.6 t -119.05 82.08 1.81 Allowed 'General case' 0 C--N 1.32 -0.701 0 O-C-N 121.881 -0.512 . . . . 0.0 112.251 -172.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.611 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.8 p -39.9 -29.54 0.07 Allowed 'General case' 0 C--O 1.244 0.782 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 169.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.633 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 24.8 mttp 86.02 11.8 0.2 Allowed 'General case' 0 C--O 1.251 1.171 0 C-N-CA 124.635 1.174 . . . . 0.0 113.923 169.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 1.088 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 3.0 pt-20 -52.04 161.44 0.59 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 123.291 1.52 . . . . 0.0 113.019 168.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HG2' ' OH ' ' A' ' 40' ' ' TYR . 17.8 mtpp -135.53 149.33 69.07 Favored Pre-proline 0 C--O 1.245 0.832 0 CA-C-N 114.51 -1.223 . . . . 0.0 112.483 -170.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.478 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 97.8 Cg_endo -66.36 -44.07 0.47 Allowed 'Cis proline' 0 N--CA 1.532 3.764 0 N-CA-C 115.73 1.396 . . . . 0.0 115.73 -3.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.478 ' H ' ' HG2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -99.32 139.41 35.02 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 120.914 -1.116 . . . . 0.0 109.458 177.575 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.088 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.4 p -54.19 178.74 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 122.642 1.211 . . . . 0.0 110.27 173.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.74 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -58.88 -39.16 80.56 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 123.734 1.73 . . . . 0.0 109.045 171.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.793 ' HE2' ' CD2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -45.73 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 174.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.481 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 63.1 m -61.24 -41.49 96.98 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.431 -170.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.04 -35.22 72.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.049 0.928 . . . . 0.0 110.637 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.74 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 2.1 mtmp? -73.17 -29.78 63.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.134 0.968 . . . . 0.0 111.51 -176.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.527 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 43.5 m-80 -111.96 8.01 20.11 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.119 -177.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 45.35 81.4 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.222 1.011 . . . . 0.0 111.302 -171.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.621 ' HZ3' ' HG3' ' A' ' 30' ' ' LYS . 17.9 m0 -123.68 -178.08 3.92 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.824 0.821 . . . . 0.0 110.466 -172.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -108.0 84.92 2.03 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.795 0.807 . . . . 0.0 111.572 173.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.3 t -63.07 91.81 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.998 0.904 . . . . 0.0 111.045 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.82 83.32 2.92 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 123.449 1.595 . . . . 0.0 110.759 172.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 1.003 ' HB2' ' HA ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -138.61 149.88 45.71 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 114.792 -1.094 . . . . 0.0 111.593 -169.193 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 1.026 ' HB3' ' HD2' ' A' ' 42' ' ' PRO . 13.2 m 64.91 -168.05 0.01 OUTLIER Pre-proline 0 C--N 1.321 -0.64 0 CA-C-O 121.146 0.498 . . . . 0.0 110.58 175.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 1.026 ' HD2' ' HB3' ' A' ' 41' ' ' SER . 0.3 OUTLIER -28.8 -58.88 0.12 Allowed 'Trans proline' 0 N--CA 1.532 3.748 1 C-N-CA 126.441 4.761 . . . . 0.0 115.015 178.605 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.4 tttm . . . . . 0 C--O 1.27 2.15 0 CA-C-O 122.104 0.954 . . . . 0.0 110.714 171.911 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.8 mmm . . . . . 0 CA--C 1.511 -0.553 0 CA-C-O 121.892 0.853 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.73 30.79 0.08 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.694 0.759 . . . . 0.0 111.036 173.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.22 141.68 57.34 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.683 0.754 . . . . 0.0 110.688 -177.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 52.83 -96.3 0.05 Allowed 'General case' 0 C--O 1.244 0.773 0 O-C-N 121.996 -0.44 . . . . 0.0 110.363 -172.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 44.89 -153.95 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.473 0.654 . . . . 0.0 111.36 -178.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -131.61 94.58 3.55 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 121.623 -0.673 . . . . 0.0 110.52 171.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.401 ' CB ' ' O ' ' A' ' 6' ' ' SER . 0.0 OUTLIER 159.04 -20.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 C-N-CA 125.239 1.416 . . . . 0.0 112.881 174.054 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.671 ' OE1' ' HE3' ' A' ' 23' ' ' LYS . 2.9 tp10 -90.13 83.94 6.08 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 123.434 1.587 . . . . 0.0 110.319 177.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.635 ' O ' ' HE2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -61.72 150.47 36.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 122.869 1.319 . . . . 0.0 111.789 -172.808 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.03 147.5 31.7 Favored 'General case' 0 C--O 1.247 0.947 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 171.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.543 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 16.7 p -58.91 171.27 0.7 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 122.475 1.131 . . . . 0.0 112.499 -169.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.824 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 8.6 t0 -58.78 -58.33 9.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.106 -174.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 1.03 HG12 HD23 ' A' ' 16' ' ' LEU . 3.8 mt -73.81 -10.48 13.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -169.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.1 m -76.98 -28.11 54.98 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 123.887 1.803 . . . . 0.0 108.551 167.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.824 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -63.19 -61.13 2.57 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-N 114.955 -1.021 . . . . 0.0 112.998 167.638 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 1.03 HD23 HG12 ' A' ' 13' ' ' ILE . 3.0 pp -68.55 -42.06 78.91 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 123.645 1.688 . . . . 0.0 109.639 -169.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.951 ' HG2' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -78.27 -25.65 46.84 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 114.295 -1.321 . . . . 0.0 111.885 -174.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.89 71.75 0.55 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 123.747 1.737 . . . . 0.0 109.575 -169.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.951 HD23 ' HG2' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -125.79 -177.67 4.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.33 -1.304 . . . . 0.0 110.515 -174.799 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt -89.0 147.92 24.03 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.002 171.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.808 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 5.5 t -137.63 68.81 1.4 Allowed 'General case' 0 C--O 1.245 0.817 0 CA-C-O 121.268 0.556 . . . . 0.0 112.386 -178.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.635 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 6.3 p -39.41 -24.57 0.01 OUTLIER 'General case' 0 C--O 1.245 0.847 0 O-C-N 121.339 -0.85 . . . . 0.0 112.93 168.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.808 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 5.0 mtpm? 86.77 8.63 0.23 Allowed 'General case' 0 C--O 1.253 1.244 0 C-N-CA 124.552 1.141 . . . . 0.0 113.994 168.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.882 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 0.7 OUTLIER -46.77 155.24 0.26 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 122.774 1.274 . . . . 0.0 110.65 169.156 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.404 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -137.22 152.99 74.58 Favored Pre-proline 0 C--O 1.243 0.712 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.02 -168.023 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.484 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 97.2 Cg_endo -65.33 -38.88 1.07 Allowed 'Cis proline' 0 N--CA 1.532 3.756 0 N-CA-C 115.697 1.383 . . . . 0.0 115.697 -3.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.764 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -104.37 139.95 38.6 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 121.294 -0.878 . . . . 0.0 110.401 174.59 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.882 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.7 p -56.94 -173.11 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.557 1.17 . . . . 0.0 110.276 172.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.702 ' O ' ' HG2' ' A' ' 33' ' ' LYS . . . -62.16 -43.39 98.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.989 1.376 . . . . 0.0 109.974 170.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.927 ' HE2' ' CZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -46.52 -71.1 0.08 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 177.565 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.764 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 55.7 m -59.65 -41.41 90.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.907 -172.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.551 HD22 ' O ' ' A' ' 32' ' ' LEU . 1.1 tt -59.76 -34.58 73.16 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.253 1.025 . . . . 0.0 110.253 -177.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.702 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 6.4 mmtp -73.22 -32.98 65.09 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.333 1.064 . . . . 0.0 111.44 -174.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.577 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 13.0 m-80 -109.45 5.71 23.57 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.694 -177.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 50.42 85.03 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.947 0.88 . . . . 0.0 110.688 -171.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.927 ' CZ3' ' HE2' ' A' ' 30' ' ' LYS . 35.6 m0 -128.99 171.39 12.4 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.462 -0.774 . . . . 0.0 110.289 -177.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -100.85 64.42 1.08 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.635 0.731 . . . . 0.0 110.61 -175.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.7 t -44.7 94.04 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.093 0.949 . . . . 0.0 111.72 173.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.971 ' HG2' ' HG3' ' A' ' 42' ' ' PRO . 1.3 ttp85 -104.77 100.47 10.11 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 122.46 1.124 . . . . 0.0 112.657 -179.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 11' ' ' CYS . 21.2 m-85 -98.45 121.91 40.99 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.44 -0.788 . . . . 0.0 109.389 170.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 p 43.65 81.06 0.26 Allowed Pre-proline 0 C--N 1.318 -0.799 0 CA-C-O 123.339 1.542 . . . . 0.0 111.218 -173.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.971 ' HG3' ' HG2' ' A' ' 39' ' ' ARG . 78.5 Cg_exo -56.96 -79.08 0.02 OUTLIER 'Trans proline' 0 N--CA 1.53 3.635 1 C-N-CA 126.587 4.858 . . . . 0.0 114.748 178.386 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.152 0 CA-C-O 122.167 0.984 . . . . 0.0 110.971 -172.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.496 0 CA-C-O 121.734 0.778 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -126.07 98.96 5.7 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.853 0.835 . . . . 0.0 110.865 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.2 tp -100.22 132.61 45.49 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.811 0.815 . . . . 0.0 111.366 -172.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp -149.36 92.31 1.93 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.831 0.824 . . . . 0.0 110.866 172.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.91 139.69 53.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.787 0.803 . . . . 0.0 111.219 -172.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.495 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 0.1 OUTLIER 170.57 144.32 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 O-C-N 121.916 -0.49 . . . . 0.0 111.126 -172.811 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.495 ' CG2' ' O ' ' A' ' 6' ' ' SER 0.256 0.1 OUTLIER 174.23 -128.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 C-N-CA 125.461 1.505 . . . . 0.0 109.042 -170.969 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.501 ' HB3' ' H ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -123.52 -151.33 0.47 Allowed 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.66 0.743 . . . . 0.0 110.368 -170.56 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.594 ' HG2' ' HE2' ' A' ' 23' ' ' LYS . 7.8 pt20 -52.98 150.7 5.29 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.248 1.023 . . . . 0.0 111.086 -171.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -157.45 142.59 16.97 Favored 'General case' 0 C--O 1.253 1.253 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.286 171.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.77 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 26.6 p -59.59 171.95 0.77 Allowed 'General case' 0 C--N 1.315 -0.901 0 O-C-N 121.377 -0.827 . . . . 0.0 112.111 -169.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.719 ' O ' HD22 ' A' ' 16' ' ' LEU . 14.4 t70 -57.66 -37.26 73.08 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.008 0.909 . . . . 0.0 111.008 178.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.564 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 2.2 mm -74.41 -26.54 20.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -172.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.5 m -78.58 -33.85 47.34 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.908 1.337 . . . . 0.0 110.373 178.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.77 ' HG2' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -51.3 -65.21 0.6 Allowed 'General case' 0 C--O 1.241 0.608 0 CA-C-O 123.437 1.589 . . . . 0.0 110.988 171.292 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.719 HD22 ' O ' ' A' ' 12' ' ' ASP . 0.8 OUTLIER -67.54 -46.24 73.35 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.846 1.308 . . . . 0.0 110.501 -168.521 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.633 ' HB3' HD11 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -76.88 -21.68 54.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.972 -174.075 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 mttt 61.03 73.07 0.49 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 123.531 1.634 . . . . 0.0 109.678 -170.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.893 HD22 ' HD2' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -126.84 168.99 13.7 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.338 -175.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' H ' ' HG2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.32 148.51 24.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.85 171.83 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.7 t -132.78 76.91 1.71 Allowed 'General case' 0 C--O 1.245 0.858 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -172.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.635 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 4.6 p -39.05 -26.48 0.02 OUTLIER 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.426 -0.796 . . . . 0.0 112.887 168.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.635 ' HB2' ' O ' ' A' ' 22' ' ' SER . 12.7 mttp 87.61 7.31 0.21 Allowed 'General case' 0 C--O 1.252 1.208 0 C-N-CA 124.747 1.219 . . . . 0.0 113.864 169.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 1.045 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.7 pt-20 -45.37 157.98 0.08 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 122.529 1.157 . . . . 0.0 110.926 170.021 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.473 ' HG2' ' HE2' ' A' ' 40' ' ' TYR . 6.1 mtmm -138.05 152.07 71.22 Favored Pre-proline 0 C--O 1.243 0.76 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.967 -169.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.49 ' HG2' ' HG3' ' A' ' 27' ' ' LYS . 83.0 Cg_endo -64.76 -42.13 0.63 Allowed 'Cis proline' 0 N--CA 1.53 3.631 0 N-CA-C 115.316 1.237 . . . . 0.0 115.316 -3.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.732 ' HE3' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -102.3 141.7 34.7 Favored 'General case' 0 C--N 1.318 -0.802 0 O-C-N 121.001 -1.062 . . . . 0.0 110.721 175.165 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.045 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -55.7 -174.66 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 122.597 1.189 . . . . 0.0 110.623 172.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.522 ' HB1' ' OE2' ' A' ' 24' ' ' GLU . . . -63.01 -39.66 95.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 123.042 1.401 . . . . 0.0 110.096 171.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.893 ' HD2' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -48.03 -69.15 0.13 Allowed 'General case' 0 C--O 1.242 0.69 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 175.221 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.508 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 83.3 m -59.97 -41.21 91.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.553 -0.717 . . . . 0.0 110.466 -173.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.795 ' O ' HD21 ' A' ' 32' ' ' LEU . 2.8 tt -58.65 -35.57 72.75 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.36 1.076 . . . . 0.0 109.986 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -75.45 -26.9 58.67 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.848 -173.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.568 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 27.0 m-80 -114.22 6.61 16.28 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.354 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 50.01 84.86 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.012 0.911 . . . . 0.0 111.161 -171.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.568 ' CE2' ' HB3' ' A' ' 34' ' ' ASN . 28.4 m0 -130.05 173.06 11.09 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-O 121.621 0.725 . . . . 0.0 110.351 -175.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.21 54.74 0.7 Allowed 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.085 -1.009 . . . . 0.0 111.334 -172.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.562 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 13.3 t -41.52 106.34 0.06 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.915 1.34 . . . . 0.0 113.834 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.401 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 1.6 mtt180 -96.86 174.59 6.72 Favored 'General case' 0 C--O 1.248 0.998 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.831 165.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.532 ' CE1' ' HB3' ' A' ' 11' ' ' CYS . 5.3 m-85 -137.67 -35.14 0.66 Allowed 'General case' 0 C--O 1.255 1.352 0 O-C-N 120.137 -1.602 . . . . 0.0 113.432 173.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.502 ' HA ' ' HD3' ' A' ' 42' ' ' PRO . 0.6 OUTLIER 174.08 147.96 0.23 Allowed Pre-proline 0 C--N 1.318 -0.764 0 CA-C-O 122.863 1.315 . . . . 0.0 112.211 -177.328 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 41' ' ' SER . 36.5 Cg_endo -94.88 -79.71 0.0 OUTLIER 'Trans proline' 0 N--CA 1.528 3.514 1 C-N-CA 127.592 5.528 . . . . 0.0 115.103 177.268 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt . . . . . 0 C--O 1.27 2.159 0 CA-C-O 122.001 0.905 . . . . 0.0 111.177 -178.883 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ttp . . . . . 0 CA--C 1.513 -0.472 0 CA-C-O 121.966 0.889 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 3' ' ' LEU . 11.8 tptm -145.33 148.41 33.38 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.427 0.632 . . . . 0.0 110.549 -174.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.425 ' N ' ' HG3' ' A' ' 2' ' ' LYS . 0.2 OUTLIER 76.12 -0.89 3.04 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -173.749 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -32.22 -61.89 0.24 Allowed 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 124.355 1.062 . . . . 0.0 113.091 -171.733 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.56 178.5 8.24 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.871 0.843 . . . . 0.0 111.156 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 p -64.51 -158.91 0.01 OUTLIER 'General case' 0 C--O 1.253 1.263 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.039 172.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.505 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 0.3 OUTLIER 47.24 74.87 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 124.531 2.11 . . . . 0.0 108.977 -171.508 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.29 27.03 4.4 Favored 'General case' 0 C--O 1.243 0.73 0 CA-C-N 114.219 -1.355 . . . . 0.0 112.457 172.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.767 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -57.53 173.42 0.28 Allowed 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.509 -0.745 . . . . 0.0 110.628 171.222 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.767 ' N ' ' HG3' ' A' ' 9' ' ' GLN . . . -179.99 144.51 0.19 Allowed 'General case' 0 C--O 1.252 1.233 0 O-C-N 121.925 -0.484 . . . . 0.0 110.416 172.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.745 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 21.9 p -77.46 173.99 11.35 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 120.667 -1.271 . . . . 0.0 111.416 -172.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.639 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 2.6 t70 -66.06 -50.49 63.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.569 0.699 . . . . 0.0 110.743 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.508 HG23 ' CE3' ' A' ' 36' ' ' TRP . 2.7 mm -56.3 -28.94 26.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -174.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.1 m -78.09 -32.04 50.41 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 123.139 1.447 . . . . 0.0 110.122 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.639 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -51.2 -63.02 1.27 Allowed 'General case' 0 C--O 1.242 0.673 0 CA-C-O 123.13 1.443 . . . . 0.0 111.498 170.58 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 15' ' ' ARG . 0.9 OUTLIER -66.71 -49.79 64.93 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 120.666 -1.271 . . . . 0.0 110.759 -169.011 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.864 ' HB2' HD23 ' A' ' 19' ' ' LEU . 10.5 mmtm -75.01 -21.4 59.14 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.993 0.902 . . . . 0.0 111.851 -175.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.5 mttt 58.36 74.97 0.41 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 123.288 1.518 . . . . 0.0 109.805 -170.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.864 HD23 ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -123.11 178.41 5.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.824 1.297 . . . . 0.0 109.608 172.305 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -88.97 158.78 17.92 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.843 170.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.866 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 7.5 t -139.14 78.57 1.68 Allowed 'General case' 0 C--O 1.242 0.702 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -174.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.592 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 3.5 p -39.72 -28.98 0.05 Allowed 'General case' 0 C--O 1.244 0.788 0 O-C-N 121.418 -0.801 . . . . 0.0 113.014 168.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.866 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 17.9 mttp 87.86 8.53 0.16 Allowed 'General case' 0 C--O 1.257 1.489 0 C-N-CA 124.603 1.161 . . . . 0.0 113.703 169.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 1.083 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.6 pt-20 -46.23 156.88 0.14 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 119.495 1.043 . . . . 0.0 110.165 169.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 9.6 mtmm -137.2 154.85 76.01 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-O 121.654 0.74 . . . . 0.0 112.021 -168.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.456 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 89.5 Cg_endo -64.78 -40.07 0.86 Allowed 'Cis proline' 0 N--CA 1.531 3.695 0 N-CA-C 115.69 1.381 . . . . 0.0 115.69 -3.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.604 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -102.99 142.31 34.31 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.126 -0.984 . . . . 0.0 110.286 172.841 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.083 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -54.35 -175.85 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.738 1.256 . . . . 0.0 110.104 171.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.527 ' O ' ' HG2' ' A' ' 33' ' ' LYS . . . -52.57 -49.37 65.11 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.39 1.09 . . . . 0.0 110.041 171.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.523 ' CE ' ' HG ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -72.83 -44.46 61.41 Favored 'General case' 0 C--O 1.274 2.384 0 N-CA-C 117.028 2.233 . . . . 0.0 117.028 -168.018 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.604 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 61.8 m -57.64 -40.58 79.56 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 121.326 1.875 . . . . 0.0 108.212 174.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.654 ' O ' HD12 ' A' ' 32' ' ' LEU . 2.8 tm? -60.41 -33.59 72.72 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.927 0.87 . . . . 0.0 110.86 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -75.7 -28.37 58.6 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.175 0.988 . . . . 0.0 111.985 -175.611 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.524 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 17.2 m-20 -112.74 11.23 19.38 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 123.202 0.601 . . . . 0.0 111.545 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 42.35 83.44 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.931 0.872 . . . . 0.0 111.806 -172.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.53 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 17.6 m0 -125.78 175.66 7.47 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.973 0.892 . . . . 0.0 110.586 -172.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -104.95 59.43 0.69 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.086 0.946 . . . . 0.0 110.917 -175.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.2 t -42.94 95.83 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.186 0.994 . . . . 0.0 111.866 172.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.11 102.19 9.39 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.745 ' CD2' ' HB3' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -98.05 -9.99 25.07 Favored 'General case' 0 C--O 1.248 0.989 0 O-C-N 121.977 -0.452 . . . . 0.0 111.899 175.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.78 ' N ' ' HD2' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -48.17 -46.67 66.58 Favored Pre-proline 0 C--N 1.318 -0.785 0 O-C-N 121.226 -0.921 . . . . 0.0 112.936 -171.866 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.78 ' HD2' ' N ' ' A' ' 41' ' ' SER . 17.8 Cg_endo -52.82 -94.09 0.0 OUTLIER 'Trans proline' 0 N--CA 1.531 3.7 1 C-N-CA 126.369 4.713 . . . . 0.0 114.722 -176.804 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.4 mttm . . . . . 0 C--O 1.27 2.166 0 CA-C-O 122.023 0.916 . . . . 0.0 110.987 -171.418 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.9 mtt . . . . . 0 CA--C 1.514 -0.419 0 CA-C-O 122.32 1.057 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 157.28 -33.01 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 123.063 1.411 . . . . 0.0 109.509 -171.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.73 -148.37 0.17 Allowed 'General case' 0 C--O 1.245 0.827 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.951 170.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.2 114.09 25.77 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.672 0.749 . . . . 0.0 110.858 171.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 t -133.11 -70.14 0.54 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.661 0.743 . . . . 0.0 110.914 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 71.34 -153.79 0.1 Allowed 'General case' 0 C--O 1.242 0.681 0 CA-C-O 121.339 0.59 . . . . 0.0 110.605 178.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.41 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -124.59 85.7 0.98 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.926 0 O-C-N 121.516 -0.74 . . . . 0.0 109.616 172.364 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.71 52.64 0.01 OUTLIER 'General case' 0 C--O 1.248 1.009 0 O-C-N 121.361 -0.837 . . . . 0.0 113.083 172.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.828 ' O ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -64.22 121.4 14.16 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.413 -0.804 . . . . 0.0 109.265 169.276 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.71 152.74 34.36 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.461 0.648 . . . . 0.0 109.496 -172.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.481 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 30.4 p -72.25 178.62 3.79 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.324 0.583 . . . . 0.0 111.141 -172.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -61.56 -35.1 76.84 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 121.429 -0.795 . . . . 0.0 110.944 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.935 HD11 HD23 ' A' ' 16' ' ' LEU . 6.9 mm -76.2 -28.18 18.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -173.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.595 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 16.6 m -79.74 -35.93 38.06 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.775 1.274 . . . . 0.0 110.137 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.609 ' HG2' ' N ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -53.19 -60.26 3.51 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-O 122.557 1.17 . . . . 0.0 111.17 169.065 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 1.07 HD11 ' HG2' ' A' ' 17' ' ' LYS . 2.3 pp -63.41 -52.23 62.47 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 120.553 -1.342 . . . . 0.0 110.488 -169.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 1.07 ' HG2' HD11 ' A' ' 16' ' ' LEU . 3.4 mmtm -77.51 -21.69 52.35 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.037 0.922 . . . . 0.0 111.995 -174.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.6 mttt 59.11 72.38 0.53 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 124.701 2.191 . . . . 0.0 109.424 -170.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.961 HD12 ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -120.57 -179.7 4.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 113.557 -1.656 . . . . 0.0 110.3 -173.116 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.541 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.86 141.04 28.83 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.016 171.477 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.595 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 16.5 t -136.89 80.0 1.79 Allowed 'General case' 0 C--O 1.244 0.784 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -172.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.535 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.0 p -41.75 -23.1 0.02 OUTLIER 'General case' 0 C--O 1.247 0.944 0 N-CA-C 114.05 1.129 . . . . 0.0 114.05 167.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.828 ' HE3' ' O ' ' A' ' 9' ' ' GLN . 9.0 mttp 77.33 4.11 3.17 Favored 'General case' 0 C--O 1.25 1.092 0 O-C-N 120.56 -1.338 . . . . 0.0 114.534 174.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.723 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -46.35 154.51 0.27 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 122.781 1.277 . . . . 0.0 110.631 169.858 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.449 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 79.6 mttt -135.95 154.09 77.45 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.265 -167.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.479 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 88.8 Cg_endo -64.8 -41.17 0.73 Allowed 'Cis proline' 0 N--CA 1.531 3.733 0 N-CA-C 115.482 1.301 . . . . 0.0 115.482 -3.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.54 ' HA ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -103.31 140.32 37.57 Favored 'General case' 0 C--O 1.245 0.848 0 O-C-N 121.132 -0.98 . . . . 0.0 110.39 174.096 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.723 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -56.51 -175.75 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.66 1.219 . . . . 0.0 110.235 172.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.627 ' HB1' ' OE2' ' A' ' 24' ' ' GLU . . . -62.53 -40.48 96.92 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 123.304 1.526 . . . . 0.0 109.689 170.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.537 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -45.87 -72.33 0.06 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 176.094 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.495 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 85.2 m -58.55 -42.73 88.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.323 -171.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.616 ' O ' HD21 ' A' ' 32' ' ' LEU . 1.1 tm? -59.37 -33.91 71.76 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.079 0.942 . . . . 0.0 110.0 -176.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 29.3 mmtt -77.45 -29.57 52.85 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.255 1.026 . . . . 0.0 111.886 -174.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.555 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 33.3 m-80 -105.35 4.96 31.43 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.046 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.64 81.16 0.05 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.242 1.02 . . . . 0.0 110.861 -171.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.555 ' CE2' ' HB3' ' A' ' 34' ' ' ASN . 26.4 m0 -125.96 174.28 8.53 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-O 121.673 0.749 . . . . 0.0 110.425 -175.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -105.1 63.28 0.7 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.796 0.808 . . . . 0.0 110.897 -176.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.54 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 8.3 t -46.08 98.55 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.892 0.853 . . . . 0.0 111.213 172.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.86 116.05 21.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.736 1.255 . . . . 0.0 113.642 172.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.481 ' CE1' ' HB3' ' A' ' 11' ' ' CYS . 51.8 m-85 -94.96 -23.0 17.59 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 121.085 -1.01 . . . . 0.0 109.882 -176.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 40.51 92.8 0.05 OUTLIER Pre-proline 0 C--N 1.319 -0.746 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 166.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -43.57 -33.29 4.39 Favored 'Trans proline' 0 N--CA 1.529 3.598 1 C-N-CA 125.927 4.418 . . . . 0.0 114.599 176.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt . . . . . 0 C--O 1.271 2.205 0 CA-C-O 122.016 0.912 . . . . 0.0 110.902 172.207 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.512 -0.512 0 CA-C-O 121.651 0.739 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -111.51 -169.57 1.48 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.162 0.506 . . . . 0.0 110.987 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 mt 92.31 -65.88 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 126.557 1.943 . . . . 0.0 110.584 175.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tt 62.0 14.98 6.88 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 121.698 -0.626 . . . . 0.0 112.412 -176.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.634 ' O ' ' HB2' ' A' ' 6' ' ' SER . 5.8 m 28.26 -89.99 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 125.741 1.616 . . . . 0.0 114.418 171.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.634 ' HB2' ' O ' ' A' ' 5' ' ' SER . 16.8 m 81.24 71.76 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.787 0.804 . . . . 0.0 110.599 -172.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -166.5 122.11 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.432 0 CA-C-O 117.955 -1.021 . . . . 0.0 109.333 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -35.64 89.01 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 121.433 1.924 . . . . 0.0 114.685 -169.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.838 ' O ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -83.02 -170.18 2.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.722 170.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -164.08 133.12 3.78 Favored 'General case' 0 C--O 1.257 1.482 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 171.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.539 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 25.8 p -70.98 173.93 6.85 Favored 'General case' 0 C--N 1.315 -0.909 0 O-C-N 120.559 -1.338 . . . . 0.0 111.551 -169.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -68.9 -27.14 65.51 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 121.821 -0.55 . . . . 0.0 112.389 -177.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.46 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 1.3 mm -75.76 -33.43 26.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.626 0.727 . . . . 0.0 112.27 -174.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.2 m -77.09 -33.24 57.02 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.647 1.213 . . . . 0.0 109.947 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.582 ' HG2' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -48.91 -62.89 1.28 Allowed 'General case' 0 C--O 1.243 0.715 0 CA-C-O 123.412 1.577 . . . . 0.0 111.234 171.681 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.582 HD12 ' HG2' ' A' ' 15' ' ' ARG . 0.5 OUTLIER -72.13 -43.21 65.06 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 120.397 -1.439 . . . . 0.0 110.736 -168.585 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.918 ' HB3' HD12 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -74.74 -18.66 60.46 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.427 -174.131 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.452 ' HZ1' ' HG2' ' A' ' 18' ' ' LYS . 9.0 mttm 60.73 73.22 0.49 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 124.346 2.022 . . . . 0.0 109.449 -171.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.918 HD12 ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -124.19 -169.86 2.04 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 113.896 -1.502 . . . . 0.0 109.508 -174.721 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.606 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.6 OUTLIER -88.69 -152.04 0.22 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.767 167.327 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.88 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 5.6 t 179.52 81.29 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.459 0.647 . . . . 0.0 111.342 169.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.616 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 9.9 p -39.56 -31.54 0.1 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 170.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.88 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 47.6 mttp 87.76 5.56 0.26 Allowed 'General case' 0 C--O 1.251 1.153 0 C-N-CA 124.409 1.084 . . . . 0.0 113.339 170.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 1.031 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 3.5 pt-20 -45.18 157.16 0.09 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 122.643 1.211 . . . . 0.0 111.16 169.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -138.05 146.43 52.09 Favored Pre-proline 0 C--O 1.243 0.74 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.07 -169.446 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.497 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 94.8 Cg_endo -66.52 -45.34 0.36 Allowed 'Cis proline' 0 N--CA 1.532 3.771 0 N-CA-C 115.825 1.433 . . . . 0.0 115.825 -3.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -96.01 135.45 37.76 Favored 'General case' 0 C--O 1.246 0.909 0 O-C-N 120.662 -1.273 . . . . 0.0 110.169 179.288 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.031 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -57.24 -172.53 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.599 1.19 . . . . 0.0 110.19 172.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.52 ' HB1' ' OE2' ' A' ' 24' ' ' GLU . . . -59.31 -46.74 87.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 122.385 1.088 . . . . 0.0 110.455 170.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.846 ' HE2' ' HG ' ' A' ' 19' ' ' LEU . 4.2 mmmt -46.71 -72.87 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 178.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.56 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 58.0 m -58.77 -39.68 81.73 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 114.646 -1.161 . . . . 0.0 112.039 -169.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.535 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.4 tm? -59.91 -38.37 82.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.219 1.009 . . . . 0.0 110.081 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -70.95 -28.66 64.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.387 -175.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.53 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 37.2 m-80 -115.04 6.36 15.2 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.292 -174.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 48.36 82.06 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.201 1.001 . . . . 0.0 110.92 -171.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.53 ' CE2' ' HB3' ' A' ' 34' ' ' ASN . 27.6 m0 -126.88 174.36 8.87 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.728 0.775 . . . . 0.0 110.407 -175.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.13 70.11 1.19 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.973 0.892 . . . . 0.0 110.83 -179.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 12.0 t -48.51 95.82 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.548 1.166 . . . . 0.0 111.347 171.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.85 104.82 16.9 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 123.54 1.638 . . . . 0.0 112.39 175.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.691 ' C ' ' HD3' ' A' ' 42' ' ' PRO . 31.0 m-85 -97.17 49.86 1.07 Allowed 'General case' 0 CA--C 1.512 -0.51 0 O-C-N 120.752 -1.217 . . . . 0.0 110.443 172.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.628 ' N ' ' HD3' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -121.09 54.13 3.9 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 121.909 0.862 . . . . 0.0 111.076 174.869 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.691 ' HD3' ' C ' ' A' ' 40' ' ' TYR . 70.8 Cg_exo -48.7 -69.8 0.07 OUTLIER 'Trans proline' 0 N--CA 1.528 3.546 1 C-N-CA 126.236 4.624 . . . . 0.0 114.609 178.508 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.457 ' H ' ' HB2' ' A' ' 42' ' ' PRO . 31.3 tttp . . . . . 0 C--O 1.27 2.167 0 C-N-CA 126.16 1.784 . . . . 0.0 114.15 171.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 mtp . . . . . 0 CA--C 1.511 -0.551 0 CA-C-O 121.923 0.868 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.1 tptt -53.5 -52.93 58.01 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.816 0.817 . . . . 0.0 110.817 -175.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 tp 48.58 -108.15 0.25 Allowed 'General case' 0 C--O 1.245 0.835 0 O-C-N 121.962 -0.461 . . . . 0.0 110.511 -175.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.3 mt 46.92 -89.06 0.01 OUTLIER 'General case' 0 C--O 1.245 0.85 0 O-C-N 121.334 -0.854 . . . . 0.0 112.364 -172.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.64 ' O ' ' HB3' ' A' ' 6' ' ' SER . 0.6 OUTLIER -62.64 -162.21 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.007 0.908 . . . . 0.0 111.882 178.541 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.64 ' HB3' ' O ' ' A' ' 5' ' ' SER . 10.6 t 86.89 71.33 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.912 0.863 . . . . 0.0 110.744 174.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.491 ' CG2' ' N ' ' A' ' 8' ' ' GLU . 5.8 tt -161.37 -141.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.481 0.657 . . . . 0.0 109.79 -174.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.491 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 1.0 OUTLIER -25.03 108.77 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 125.581 1.552 . . . . 0.0 113.556 171.094 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.749 ' O ' ' HE3' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -31.66 144.92 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 124.87 1.268 . . . . 0.0 111.089 167.654 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' A' ' 9' ' ' GLN . . . -176.82 142.98 0.42 Allowed 'General case' 0 C--O 1.252 1.232 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.886 173.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 19.8 p -63.6 174.1 1.46 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 122.6 1.191 . . . . 0.0 112.764 -168.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.631 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 1.2 t70 -62.15 -45.86 91.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.315 178.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.577 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 1.9 mm -59.05 -28.82 39.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -172.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.7 m -77.18 -32.04 55.81 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.661 1.22 . . . . 0.0 110.146 177.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.631 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 2.6 mtp180 -50.1 -63.86 0.99 Allowed 'General case' 0 C--O 1.242 0.707 0 CA-C-O 123.587 1.661 . . . . 0.0 111.239 170.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.84 -49.66 60.97 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 120.321 -1.487 . . . . 0.0 110.894 -168.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.818 ' HB2' HD21 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -75.02 -19.44 60.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.643 -174.23 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.446 ' HZ1' ' HG2' ' A' ' 18' ' ' LYS . 19.9 mttm 59.89 71.99 0.55 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 123.702 1.715 . . . . 0.0 109.441 -171.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.834 HD22 ' HE2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -125.71 155.17 41.35 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.383 -1.281 . . . . 0.0 109.422 -175.823 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -79.55 134.98 36.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.87 0.843 . . . . 0.0 110.835 172.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.5 t -114.02 80.39 1.38 Allowed 'General case' 0 C--O 1.244 0.777 0 O-C-N 121.868 -0.52 . . . . 0.0 111.639 -171.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.641 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 11.0 p -38.63 -29.96 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 O-C-N 121.359 -0.838 . . . . 0.0 112.397 169.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.749 ' HE3' ' O ' ' A' ' 9' ' ' GLN . 0.4 OUTLIER 88.34 7.43 0.16 Allowed 'General case' 0 C--O 1.254 1.31 0 C-N-CA 124.731 1.212 . . . . 0.0 114.064 167.792 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.934 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.3 pt-20 -46.88 154.23 0.35 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 122.638 1.209 . . . . 0.0 110.581 169.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.603 ' HE2' ' CD2' ' A' ' 40' ' ' TYR . 0.7 OUTLIER -138.38 150.89 68.06 Favored Pre-proline 0 C--O 1.243 0.76 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.028 -168.673 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.486 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 98.7 Cg_endo -65.64 -40.44 0.87 Allowed 'Cis proline' 0 N--CA 1.531 3.694 0 N-CA-C 115.719 1.392 . . . . 0.0 115.719 -3.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.574 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 6.8 mtmt -101.87 134.54 44.9 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 121.19 -0.943 . . . . 0.0 110.559 177.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.934 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -56.76 -173.76 0.01 OUTLIER 'General case' 0 C--O 1.241 0.63 0 CA-C-O 122.626 1.203 . . . . 0.0 110.175 172.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.513 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -64.73 -40.04 94.65 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 123.235 1.493 . . . . 0.0 110.113 170.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.834 ' HE2' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -45.46 -72.67 0.05 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 114.665 1.358 . . . . 0.0 114.665 174.546 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.574 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 55.8 m -61.23 -38.77 87.82 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.777 -171.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.1 -40.31 76.76 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 122.115 0.96 . . . . 0.0 109.7 178.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 7.2 mtpm? -70.94 -27.54 63.83 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.987 -174.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.47 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 45.8 m-20 -125.04 30.99 5.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.19 -176.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 35.93 68.09 0.26 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 124.776 2.227 . . . . 0.0 111.75 172.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.562 ' HZ3' ' HG3' ' A' ' 30' ' ' LYS . 15.8 m0 -115.88 179.04 4.1 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.75 -170.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -108.41 67.89 0.68 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.837 0.827 . . . . 0.0 111.544 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.426 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 17.4 t -45.33 97.03 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.493 1.14 . . . . 0.0 111.024 171.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.552 ' HB2' ' HB3' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -100.34 91.58 4.78 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.567 1.175 . . . . 0.0 112.284 -174.361 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.603 ' CD2' ' HE2' ' A' ' 25' ' ' LYS . 54.3 m-85 -101.82 103.98 14.72 Favored 'General case' 0 C--O 1.246 0.899 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 168.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.634 ' H ' ' HD2' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -151.2 -57.33 0.02 OUTLIER Pre-proline 0 C--N 1.32 -0.695 0 CA-C-O 122.035 0.922 . . . . 0.0 113.293 -171.535 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.634 ' HD2' ' H ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -33.65 -75.77 0.03 OUTLIER 'Trans proline' 0 N--CA 1.528 3.558 1 C-N-CA 126.637 4.891 . . . . 0.0 115.201 -176.829 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.431 ' H ' ' HB2' ' A' ' 42' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.225 0 CA-C-O 121.876 0.846 . . . . 0.0 110.827 -172.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ptt? . . . . . 0 CA--C 1.511 -0.532 0 CA-C-O 121.703 0.763 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -110.61 -56.16 2.38 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.819 0.818 . . . . 0.0 111.294 -172.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.43 ' CD1' ' N ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER 57.15 61.17 2.65 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.132 0.968 . . . . 0.0 110.714 -172.286 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 mp -129.08 -162.5 1.2 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.525 0.679 . . . . 0.0 110.635 175.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.0 p -91.58 24.8 2.9 Favored 'General case' 0 C--O 1.243 0.716 0 O-C-N 121.757 -0.589 . . . . 0.0 111.516 170.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.22 171.15 12.73 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.963 0.887 . . . . 0.0 111.001 172.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.521 ' CG2' ' N ' ' A' ' 8' ' ' GLU . 0.7 OUTLIER 148.78 164.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 C-N-CA 126.107 1.763 . . . . 0.0 108.992 -170.742 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.521 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -34.27 87.1 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 122.529 1.157 . . . . 0.0 112.218 169.428 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -83.97 169.79 14.64 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 123.116 1.436 . . . . 0.0 113.297 -170.497 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.7 125.82 9.94 Favored 'General case' 0 C--O 1.26 1.637 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.004 170.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.909 ' HA ' ' HB3' ' A' ' 40' ' ' TYR . 23.4 p -61.93 175.31 0.69 Allowed 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 120.957 1.708 . . . . 0.0 112.134 -168.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -57.28 -45.33 84.19 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.432 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.458 HG23 ' CE3' ' A' ' 36' ' ' TRP . 1.5 mm -61.78 -32.8 55.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -171.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.8 m -76.55 -32.5 58.23 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 122.286 1.041 . . . . 0.0 110.054 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.801 ' HG2' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -49.97 -63.19 1.19 Allowed 'General case' 0 C--O 1.244 0.779 0 CA-C-O 123.415 1.579 . . . . 0.0 111.13 171.274 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.801 ' N ' ' HG2' ' A' ' 15' ' ' ARG . 31.8 mt -66.44 -52.01 50.82 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 120.271 -1.518 . . . . 0.0 110.719 -168.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.506 ' CB ' HD23 ' A' ' 19' ' ' LEU . 5.6 mmtm -75.28 -17.41 60.3 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.544 -172.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp 61.35 72.04 0.53 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 123.816 1.77 . . . . 0.0 109.722 -172.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.614 HD22 ' HD2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -125.6 172.39 9.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.157 -172.705 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' H ' ' HG3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.25 151.64 22.51 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.946 172.195 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.9 t -136.09 78.08 1.69 Allowed 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.688 0.756 . . . . 0.0 112.951 -172.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.551 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 8.4 p -44.97 -19.57 0.03 OUTLIER 'General case' 0 C--O 1.249 1.04 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 169.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.551 ' HB2' ' O ' ' A' ' 22' ' ' SER . 0.6 OUTLIER 77.39 -2.61 2.57 Favored 'General case' 0 C--O 1.254 1.301 0 O-C-N 120.671 -1.268 . . . . 0.0 114.389 174.891 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 1.037 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 3.7 pt-20 -44.18 152.84 0.17 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 119.487 1.04 . . . . 0.0 110.331 170.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.543 ' HE3' ' O ' ' A' ' 23' ' ' LYS . 3.3 mttt -137.03 155.17 76.33 Favored Pre-proline 0 C--O 1.244 0.768 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.023 -168.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.455 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 89.0 Cg_endo -64.98 -36.96 1.43 Allowed 'Cis proline' 0 N--CA 1.531 3.701 0 N-CA-C 115.842 1.439 . . . . 0.0 115.842 -3.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.455 ' H ' ' HG2' ' A' ' 26' ' ' PRO . 0.1 OUTLIER -104.82 137.45 42.58 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.435 -0.791 . . . . 0.0 110.782 174.161 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.037 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.9 p -56.45 -173.49 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.557 1.17 . . . . 0.0 110.787 171.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.629 ' HB1' ' OE2' ' A' ' 24' ' ' GLU . . . -60.08 -43.37 95.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 122.759 1.266 . . . . 0.0 109.646 170.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.614 ' HD2' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -48.28 -69.89 0.11 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 179.717 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.497 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 69.9 m -61.39 -39.39 90.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.607 -172.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 32' ' ' LEU . 1.4 tm? -58.95 -36.2 74.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 122.31 1.052 . . . . 0.0 110.234 178.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 18.1 mmtt -70.85 -30.45 66.86 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.213 1.006 . . . . 0.0 111.075 -174.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.549 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 13.4 m-80 -116.43 7.46 13.83 Favored 'General case' 0 C--O 1.247 0.941 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.924 -174.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 49.32 85.27 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.454 -0.779 . . . . 0.0 111.21 -171.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.549 ' CE2' ' HB3' ' A' ' 34' ' ' ASN . 25.0 m0 -130.34 177.12 7.57 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.918 0.866 . . . . 0.0 110.715 -173.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.47 65.6 0.68 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.718 0.771 . . . . 0.0 110.844 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.7 t -38.67 95.01 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.531 1.158 . . . . 0.0 111.919 171.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -109.78 70.32 0.72 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.172 0.986 . . . . 0.0 112.427 -172.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.909 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -114.4 54.36 0.77 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 122.518 1.152 . . . . 0.0 109.587 169.019 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.5 163.79 16.24 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-O 122.27 1.033 . . . . 0.0 111.575 -171.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.42 ' HB2' ' H ' ' A' ' 43' ' ' LYS . 12.1 Cg_endo -84.72 -125.67 0.01 OUTLIER 'Trans proline' 0 N--CA 1.534 3.896 1 C-N-CA 126.653 4.902 . . . . 0.0 114.311 178.164 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.42 ' H ' ' HB2' ' A' ' 42' ' ' PRO . 9.4 pttm . . . . . 0 C--O 1.271 2.196 0 O-C-N 120.728 -1.232 . . . . 0.0 110.84 172.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 mtt . . . . . 0 CA--C 1.511 -0.539 0 CA-C-O 121.732 0.777 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -139.48 39.03 2.06 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.737 0.779 . . . . 0.0 110.928 174.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.5 mp -122.46 57.9 1.07 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.507 1.146 . . . . 0.0 110.718 175.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 mp -110.34 103.51 12.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.728 0.775 . . . . 0.0 111.045 175.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.84 160.96 22.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.612 0.72 . . . . 0.0 110.795 172.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.85 -160.39 0.11 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.49 0.662 . . . . 0.0 110.933 -172.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -95.42 19.65 1.3 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.725 0 CA-C-O 121.204 0.526 . . . . 0.0 112.118 172.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.459 ' HB3' ' H ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -52.62 -83.9 0.01 OUTLIER 'General case' 0 C--O 1.247 0.947 0 O-C-N 121.567 -0.708 . . . . 0.0 110.742 176.28 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.577 ' O ' ' HB1' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -79.69 128.68 33.7 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.95 1.357 . . . . 0.0 110.555 175.222 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.577 ' HB1' ' O ' ' A' ' 9' ' ' GLN . . . 149.53 114.6 0.0 OUTLIER 'General case' 0 C--O 1.257 1.452 0 C-N-CA 126.107 1.763 . . . . 0.0 107.792 -167.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.3 p -63.33 177.2 0.67 Allowed 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 120.811 1.641 . . . . 0.0 112.399 -165.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.611 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -60.56 -47.02 88.04 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.821 0.82 . . . . 0.0 110.906 179.453 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.498 HG23 ' CE3' ' A' ' 36' ' ' TRP . 11.6 mm -62.12 -25.08 36.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.73 0.776 . . . . 0.0 112.572 -171.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 19.6 m -78.47 -33.57 48.2 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.765 1.269 . . . . 0.0 110.47 176.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.611 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 4.1 mtt-85 -51.41 -64.47 0.8 Allowed 'General case' 0 C--O 1.242 0.678 0 CA-C-O 123.11 1.433 . . . . 0.0 111.101 171.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.63 -47.65 69.01 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.988 1.375 . . . . 0.0 110.23 -168.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 1.117 ' HE2' ' CH2' ' A' ' 36' ' ' TRP . 8.4 mtpp -77.32 -19.97 55.6 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.892 -172.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.48 ' HZ3' ' HG2' ' A' ' 18' ' ' LYS . 3.9 mttp 60.19 72.56 0.52 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 124.16 1.933 . . . . 0.0 108.95 -170.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.754 ' HG ' ' HE2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -123.54 154.59 39.0 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.551 -172.312 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.02 134.15 35.06 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.466 0.65 . . . . 0.0 110.347 171.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 3.2 t -112.37 84.99 2.07 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.157 0.503 . . . . 0.0 110.958 -171.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.656 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.3 p -38.13 -30.15 0.03 OUTLIER 'General case' 0 C--O 1.244 0.792 0 O-C-N 121.682 -0.636 . . . . 0.0 112.516 170.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.656 ' HB2' ' O ' ' A' ' 22' ' ' SER . 11.4 mttm 84.1 77.21 0.02 OUTLIER 'General case' 0 C--O 1.271 2.235 0 O-C-N 121.143 -0.973 . . . . 0.0 111.884 167.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 1.075 ' C ' ' HD3' ' A' ' 25' ' ' LYS . 1.1 pt-20 -139.49 158.84 43.44 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 118.2 -2.813 . . . . 0.0 110.125 -173.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 1.075 ' HD3' ' C ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -120.52 136.55 25.39 Favored Pre-proline 0 C--O 1.24 0.59 0 CA-C-O 121.761 0.791 . . . . 0.0 112.404 -167.692 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.5 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 87.9 Cg_endo -66.97 -50.33 0.18 OUTLIER 'Cis proline' 0 N--CA 1.534 3.859 0 N-CA-C 115.914 1.467 . . . . 0.0 115.914 -3.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.969 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -101.97 145.32 29.43 Favored 'General case' 0 C--O 1.255 1.354 0 O-C-N 120.437 -1.414 . . . . 0.0 110.065 -172.266 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.031 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.4 p -55.11 -176.01 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 123.221 1.486 . . . . 0.0 109.295 170.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.547 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -56.76 -41.87 78.36 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 123.243 1.497 . . . . 0.0 109.848 168.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.754 ' HE2' ' HG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -49.38 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 178.576 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.969 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 59.9 m -59.05 -37.87 78.05 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.092 -171.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 tt -61.1 -39.16 88.89 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.079 0.942 . . . . 0.0 109.834 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -65.61 -31.52 72.6 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 123.233 1.492 . . . . 0.0 110.27 -177.759 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.52 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . 2.5 m120 -113.17 2.97 15.82 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-N 114.826 -1.079 . . . . 0.0 113.894 -169.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 48.55 77.53 0.1 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.597 1.189 . . . . 0.0 110.381 -171.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 1.117 ' CH2' ' HE2' ' A' ' 17' ' ' LYS . 27.3 m0 -124.23 172.87 8.73 Favored 'General case' 0 C--O 1.245 0.818 0 C-N-CA 123.927 0.891 . . . . 0.0 110.273 -176.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -103.49 64.05 0.81 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.813 0.816 . . . . 0.0 110.592 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.526 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 15.6 t -42.59 95.95 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.939 0.875 . . . . 0.0 111.88 172.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.13 111.38 23.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 124.455 2.074 . . . . 0.0 112.707 175.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -96.91 -30.57 13.04 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 120.113 -1.617 . . . . 0.0 110.359 176.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.6 m 57.09 65.1 3.95 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-O 121.616 0.722 . . . . 0.0 111.297 -175.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.554 ' HG2' ' H ' ' A' ' 43' ' ' LYS . 48.6 Cg_endo -62.1 -57.75 0.47 Allowed 'Trans proline' 0 N--CA 1.53 3.667 1 C-N-CA 125.877 4.385 . . . . 0.0 113.479 176.569 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.554 ' H ' ' HG2' ' A' ' 42' ' ' PRO . 1.5 pptp? . . . . . 0 C--O 1.27 2.164 0 CA-C-O 122.163 0.982 . . . . 0.0 111.17 171.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.527 0 CA-C-O 121.72 0.772 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.3 tttp 64.97 93.22 0.07 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.638 0.732 . . . . 0.0 111.106 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 71.54 132.9 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.816 1.293 . . . . 0.0 111.603 172.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.84 107.96 16.11 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 121.793 0.806 . . . . 0.0 111.104 -176.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.48 -176.74 0.07 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.718 0.77 . . . . 0.0 110.969 -174.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 p -120.24 101.44 7.82 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.842 0.829 . . . . 0.0 111.339 -172.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 155.91 138.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.25 1.119 0 C-N-CA 124.203 1.001 . . . . 0.0 109.076 -172.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -166.46 125.54 1.52 Allowed 'General case' 0 C--N 1.316 -0.855 0 O-C-N 121.056 -1.028 . . . . 0.0 111.011 -171.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.451 ' O ' ' HB1' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -47.31 154.43 0.41 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 122.181 0.991 . . . . 0.0 111.696 -176.284 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.451 ' HB1' ' O ' ' A' ' 9' ' ' GLN . . . -178.87 139.44 0.16 Allowed 'General case' 0 C--O 1.255 1.372 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.182 172.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.533 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 20.0 p -74.42 173.28 10.53 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 120.662 -1.274 . . . . 0.0 111.926 -170.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.551 ' HB2' ' HB3' ' A' ' 39' ' ' ARG . 1.3 t70 -70.11 -34.9 73.69 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 121.645 -0.659 . . . . 0.0 112.197 -178.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.491 HG23 ' CE3' ' A' ' 36' ' ' TRP . 1.3 mm -66.2 -31.53 54.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 O-C-N 121.593 -0.692 . . . . 0.0 112.76 -175.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.5 m -78.49 -33.08 48.42 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.67 1.224 . . . . 0.0 110.49 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.98 -63.6 1.08 Allowed 'General case' 0 C--O 1.242 0.669 0 CA-C-O 123.098 1.427 . . . . 0.0 111.115 171.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.6 mt -64.8 -52.96 54.03 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.752 1.263 . . . . 0.0 110.642 -169.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.713 ' HB2' HD21 ' A' ' 19' ' ' LEU . 6.7 mmmt -74.16 -19.89 60.41 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.366 -173.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp 58.97 71.93 0.56 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 123.907 1.813 . . . . 0.0 109.553 -171.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.789 ' CG ' ' HE2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -122.07 -177.6 3.63 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.22 -1.355 . . . . 0.0 110.603 -172.661 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.7 147.04 24.7 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.176 172.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 3.8 t -136.36 70.72 1.41 Allowed 'General case' 0 C--O 1.243 0.735 0 O-C-N 121.699 -0.626 . . . . 0.0 112.045 -175.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.643 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 5.4 p -39.28 -24.79 0.01 OUTLIER 'General case' 0 C--O 1.245 0.859 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 170.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.643 ' HB2' ' O ' ' A' ' 22' ' ' SER . 9.9 mttt 86.83 4.7 0.38 Allowed 'General case' 0 C--O 1.254 1.294 0 C-N-CA 124.544 1.138 . . . . 0.0 113.933 169.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 1.091 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.9 pt-20 -45.3 157.93 0.08 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 122.586 1.184 . . . . 0.0 111.307 170.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 11.2 mtmm -138.26 144.73 44.31 Favored Pre-proline 0 C--O 1.244 0.804 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.257 -169.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.499 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 95.1 Cg_endo -66.87 -47.08 0.27 Allowed 'Cis proline' 0 N--CA 1.531 3.714 0 N-CA-C 115.621 1.354 . . . . 0.0 115.621 -3.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.499 ' H ' ' HG2' ' A' ' 26' ' ' PRO . 7.1 mttp -95.1 131.89 40.6 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 120.654 -1.279 . . . . 0.0 110.137 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.091 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -55.79 -176.53 0.01 OUTLIER 'General case' 0 C--O 1.239 0.531 0 CA-C-O 122.803 1.287 . . . . 0.0 110.192 173.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.711 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -62.52 -40.79 97.9 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 123.151 1.453 . . . . 0.0 109.775 170.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.789 ' HE2' ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -45.29 -72.89 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 175.814 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.484 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 60.8 m -59.32 -43.05 92.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.485 -170.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.93 -34.37 73.14 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 122.131 0.967 . . . . 0.0 109.799 -177.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.711 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 10.5 mttm -77.0 -26.53 53.96 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.056 0.931 . . . . 0.0 111.881 -174.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.52 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 22.2 m-80 -112.81 8.06 18.66 Favored 'General case' 0 C--O 1.246 0.891 0 C-N-CA 123.067 0.547 . . . . 0.0 112.06 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 47.9 83.66 0.03 OUTLIER 'General case' 0 CA--C 1.506 -0.724 0 CA-C-O 122.41 1.1 . . . . 0.0 111.772 -171.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.52 ' CE2' ' HB3' ' A' ' 34' ' ' ASN . 32.5 m0 -128.68 176.0 8.14 Favored 'General case' 0 C--O 1.246 0.898 0 O-C-N 121.221 -0.925 . . . . 0.0 110.304 -177.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.34 65.78 0.64 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.063 0.935 . . . . 0.0 110.595 -177.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.473 ' H ' ' HD3' ' A' ' 27' ' ' LYS . 19.7 t -38.2 104.21 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.889 1.328 . . . . 0.0 111.835 174.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.551 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -97.66 94.69 7.11 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 123.318 1.532 . . . . 0.0 112.191 179.21 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.533 ' CE1' ' HB3' ' A' ' 11' ' ' CYS . 10.6 m-85 -98.73 13.57 31.76 Favored 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.084 -1.01 . . . . 0.0 110.754 169.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -77.96 146.31 71.56 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-O 121.969 0.89 . . . . 0.0 111.479 -170.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -81.78 -18.95 7.58 Favored 'Trans proline' 0 N--CA 1.53 3.631 1 C-N-CA 126.34 4.694 . . . . 0.0 115.902 177.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.3 mttp . . . . . 0 C--O 1.27 2.138 0 CA-C-O 122.08 0.943 . . . . 0.0 110.915 -177.26 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.528 0 CA-C-O 121.801 0.81 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.05 157.21 18.42 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.642 0.734 . . . . 0.0 110.989 177.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.2 mp -94.11 20.11 8.38 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 121.145 0.497 . . . . 0.0 112.031 176.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 pp -163.23 136.04 5.48 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.968 0.889 . . . . 0.0 110.851 -173.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 p -169.3 46.79 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.883 0.849 . . . . 0.0 111.01 -172.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 79.34 -174.17 0.06 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.118 0.961 . . . . 0.0 111.579 172.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER 152.67 136.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.249 1.033 0 C-N-CA 125.51 1.524 . . . . 0.0 108.293 -171.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.24 -96.64 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.841 0 O-C-N 121.263 -0.898 . . . . 0.0 110.977 -171.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.608 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -77.24 -163.93 0.42 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.686 0.755 . . . . 0.0 112.778 -170.318 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' A' ' 9' ' ' GLN . . . 89.76 140.89 0.04 OUTLIER 'General case' 0 C--O 1.251 1.132 0 C-N-CA 124.949 1.299 . . . . 0.0 108.213 -169.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 39' ' ' ARG . 20.2 p -76.77 171.8 14.13 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 124.158 1.933 . . . . 0.0 114.222 -166.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.707 ' HB2' ' HB3' ' A' ' 39' ' ' ARG . 2.3 t70 -71.39 -36.04 71.27 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 114.574 -1.194 . . . . 0.0 112.179 -178.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.468 HG21 ' CD1' ' A' ' 19' ' ' LEU . 2.7 mm -59.33 -32.96 49.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 O-C-N 121.346 -0.846 . . . . 0.0 112.746 178.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.859 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 7.1 m -79.65 -36.62 37.55 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.146 0.498 . . . . 0.0 111.074 -173.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.655 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -54.89 -58.18 8.62 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-O 121.796 0.808 . . . . 0.0 111.802 170.888 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.26 -54.62 41.76 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-O 122.876 1.322 . . . . 0.0 110.184 -170.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.948 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -76.45 -20.9 56.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.04 -173.826 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.6 mttt 58.7 72.47 0.53 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 123.325 1.536 . . . . 0.0 109.284 -170.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.948 ' CD2' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -127.49 -179.49 4.94 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.134 -179.039 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -88.73 137.57 32.2 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 121.6 -0.688 . . . . 0.0 110.992 -174.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.859 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 20.8 t -143.0 77.14 1.56 Allowed 'General case' 0 C--O 1.249 1.071 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -172.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.641 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 5.9 p -43.44 -22.58 0.04 OUTLIER 'General case' 0 C--O 1.249 1.077 0 O-C-N 120.806 -1.184 . . . . 0.0 112.764 164.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.641 ' HG2' ' O ' ' A' ' 22' ' ' SER . 0.0 OUTLIER 68.81 30.23 4.84 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 122.951 1.358 . . . . 0.0 111.592 178.542 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.908 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.5 pt-20 -57.91 161.77 3.71 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 120.653 -1.28 . . . . 0.0 110.758 163.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.726 ' HG2' ' CE2' ' A' ' 40' ' ' TYR . 27.4 mtmt -135.32 154.26 78.55 Favored Pre-proline 0 C--O 1.243 0.728 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.235 -168.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.48 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 85.3 Cg_endo -65.19 -41.67 0.7 Allowed 'Cis proline' 0 N--CA 1.532 3.745 0 N-CA-C 115.436 1.283 . . . . 0.0 115.436 -3.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.951 ' HE3' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -106.33 145.08 32.11 Favored 'General case' 0 C--O 1.252 1.191 0 O-C-N 121.007 -1.058 . . . . 0.0 109.065 172.311 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.908 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.1 p -53.53 -178.29 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 123.068 1.413 . . . . 0.0 109.528 170.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.484 ' HB1' ' OE2' ' A' ' 24' ' ' GLU . . . -56.17 -43.72 78.63 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.454 1.121 . . . . 0.0 109.481 169.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.723 ' HD3' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -73.61 -36.9 65.56 Favored 'General case' 0 C--O 1.28 2.705 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -168.595 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.581 ' HB2' ' HB2' ' A' ' 27' ' ' LYS . 74.4 m -65.86 -39.47 90.75 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 122.765 2.53 . . . . 0.0 108.615 170.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.951 ' HG ' ' HE3' ' A' ' 27' ' ' LYS . 5.5 tt -56.22 -37.02 69.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.081 0.943 . . . . 0.0 110.287 177.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.98 -32.37 69.19 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.164 0.983 . . . . 0.0 110.692 -172.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.561 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 11.9 m-80 -112.02 3.91 17.74 Favored 'General case' 0 C--O 1.248 1.024 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.193 -173.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 52.87 82.65 0.07 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.387 1.089 . . . . 0.0 110.077 -171.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.561 ' CE2' ' HB3' ' A' ' 34' ' ' ASN . 22.6 m0 -127.06 173.09 9.95 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.816 0.817 . . . . 0.0 110.682 -175.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.22 60.99 0.72 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.367 0.604 . . . . 0.0 109.961 -177.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.441 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 23.8 t -39.45 105.89 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 123.316 1.531 . . . . 0.0 110.523 176.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.707 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 6.4 ttt180 -95.11 154.44 17.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.902 175.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.726 ' CE2' ' HG2' ' A' ' 25' ' ' LYS . 2.4 m-30 -137.02 20.16 3.01 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 123.684 0.794 . . . . 0.0 111.161 -172.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.871 ' N ' ' HD3' ' A' ' 42' ' ' PRO . 1.2 p 67.21 34.07 0.11 Allowed Pre-proline 0 C--N 1.319 -0.719 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -173.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.871 ' HD3' ' N ' ' A' ' 41' ' ' SER . 37.6 Cg_exo -63.25 -30.65 74.16 Favored 'Trans proline' 0 N--CA 1.533 3.849 1 C-N-CA 126.398 4.732 . . . . 0.0 114.565 175.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp . . . . . 0 C--O 1.27 2.141 0 CA-C-O 122.111 0.958 . . . . 0.0 111.393 -172.397 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.511 0 CA-C-O 121.657 0.741 . . . . 0.0 110.793 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.49 54.64 0.72 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.939 0.876 . . . . 0.0 110.777 172.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -49.58 122.93 6.9 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.433 1.111 . . . . 0.0 111.307 -179.162 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.51 -53.41 4.21 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.839 0.828 . . . . 0.0 110.866 174.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 p 74.06 32.91 1.0 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.31 0.576 . . . . 0.0 111.841 171.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 7' ' ' ILE . 53.8 p -134.09 25.32 3.9 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 172.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.45 ' CB ' ' O ' ' A' ' 6' ' ' SER . 0.0 OUTLIER 121.83 146.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.252 1.236 0 C-N-CA 126.258 1.823 . . . . 0.0 108.056 168.733 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.444 ' N ' HD12 ' A' ' 7' ' ' ILE . 0.7 OUTLIER -125.76 103.38 7.78 Favored 'General case' 0 C--N 1.316 -0.891 0 O-C-N 120.775 -1.203 . . . . 0.0 110.428 171.535 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.568 ' O ' ' HE2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -46.83 129.83 11.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.015 0.912 . . . . 0.0 111.256 -173.276 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -167.31 146.12 5.0 Favored 'General case' 0 C--O 1.248 1.008 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.194 172.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.716 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 27.6 p -75.63 175.26 8.76 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 121.02 -1.05 . . . . 0.0 111.881 -170.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.823 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 3.4 t70 -60.22 -40.43 90.12 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.111 0.958 . . . . 0.0 110.945 176.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.444 HG23 ' CE3' ' A' ' 36' ' ' TRP . 2.0 mm -66.64 -29.88 47.91 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 O-C-N 121.611 -0.68 . . . . 0.0 112.624 -172.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.7 m -78.86 -34.19 45.23 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.367 1.08 . . . . 0.0 110.658 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.823 ' HG3' ' HA ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -50.85 -63.33 1.16 Allowed 'General case' 0 C--O 1.242 0.702 0 CA-C-O 123.168 1.461 . . . . 0.0 110.932 171.163 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' A' ' 15' ' ' ARG . 4.0 mp -65.55 -50.56 64.72 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 120.712 -1.243 . . . . 0.0 110.578 -169.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.585 ' HB2' HD21 ' A' ' 19' ' ' LEU . 5.4 mmtm -76.63 -19.46 57.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.781 -173.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt 59.72 72.07 0.55 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 123.489 1.614 . . . . 0.0 109.489 -171.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.87 HD22 ' HE2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -122.94 178.28 5.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.547 -173.638 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -88.61 149.5 23.53 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.212 171.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.456 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 8.6 t -134.63 75.53 1.58 Allowed 'General case' 0 C--O 1.243 0.754 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -177.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.663 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 6.9 p -39.72 -22.65 0.01 OUTLIER 'General case' 0 C--O 1.245 0.855 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 170.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.663 ' HB2' ' O ' ' A' ' 22' ' ' SER . 19.7 mttt 86.43 0.56 0.6 Allowed 'General case' 0 C--O 1.251 1.182 0 C-N-CA 124.557 1.143 . . . . 0.0 113.452 170.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 1.077 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 4.3 pt-20 -46.22 159.29 0.08 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.917 1.341 . . . . 0.0 112.648 170.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.504 ' HG2' ' CE2' ' A' ' 40' ' ' TYR . 0.6 OUTLIER -138.61 149.35 62.18 Favored Pre-proline 0 C--O 1.244 0.791 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.81 -170.607 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.485 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 92.6 Cg_endo -65.64 -44.25 0.44 Allowed 'Cis proline' 0 N--CA 1.531 3.683 0 N-CA-C 115.527 1.318 . . . . 0.0 115.527 -3.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.507 ' HB2' ' HB2' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -96.07 140.21 31.12 Favored 'General case' 0 C--O 1.245 0.853 0 O-C-N 120.734 -1.229 . . . . 0.0 110.091 177.232 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.077 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 2.0 p -58.22 -173.71 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.52 1.152 . . . . 0.0 110.433 171.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.699 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -61.43 -40.74 95.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.742 1.258 . . . . 0.0 110.13 170.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.87 ' HE2' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -48.13 -73.64 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 176.654 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.509 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 64.9 m -59.89 -38.22 81.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.36 -171.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.73 ' O ' HD21 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -61.15 -37.97 84.75 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 122.04 0.924 . . . . 0.0 109.978 179.223 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.699 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 3.1 mttt -66.57 -30.54 70.86 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 123.229 1.49 . . . . 0.0 110.425 -178.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.528 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . 2.3 m120 -115.61 8.67 15.12 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 124.159 0.984 . . . . 0.0 113.389 -169.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.402 ' ND2' ' N ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER 40.16 79.27 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 122.496 1.141 . . . . 0.0 111.433 -170.861 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.625 ' HZ3' ' HG3' ' A' ' 30' ' ' LYS . 21.0 m0 -122.49 177.31 5.47 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 124.108 0.963 . . . . 0.0 110.458 -173.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.67 63.22 0.72 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.207 1.003 . . . . 0.0 111.037 -178.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.439 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 10.2 t -45.17 108.2 0.12 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 123.056 1.407 . . . . 0.0 112.067 174.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.484 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 0.4 OUTLIER -96.64 147.33 24.0 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.436 167.605 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.53 ' O ' ' HB3' ' A' ' 41' ' ' SER . 3.4 m-30 -121.99 -32.57 3.7 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 120.841 -1.162 . . . . 0.0 112.094 171.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.988 ' HB2' ' HD2' ' A' ' 42' ' ' PRO . 96.4 p 157.89 -177.7 0.01 OUTLIER Pre-proline 0 C--N 1.318 -0.8 0 C-N-CA 124.856 1.262 . . . . 0.0 110.174 -169.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.988 ' HD2' ' HB2' ' A' ' 41' ' ' SER . 9.8 Cg_exo -38.34 -34.04 0.34 Allowed 'Trans proline' 0 N--CA 1.53 3.636 1 C-N-CA 126.295 4.663 . . . . 0.0 114.662 176.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.138 0 CA-C-O 122.077 0.942 . . . . 0.0 110.974 171.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.401 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 6.1 tpt . . . . . 0 CA--C 1.512 -0.483 0 CA-C-O 121.637 0.732 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 1' ' ' MET . 9.4 tppt? 90.37 -37.78 0.02 OUTLIER 'General case' 0 C--O 1.244 0.81 0 C-N-CA 124.721 1.209 . . . . 0.0 111.637 172.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.49 102.8 6.08 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.5 -0.75 . . . . 0.0 111.415 -172.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.477 ' CD2' ' C ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER 161.87 -42.03 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 125.2 1.4 . . . . 0.0 109.824 171.214 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.426 ' HB3' HD21 ' A' ' 4' ' ' LEU . 44.9 t -171.73 -75.41 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.919 0.866 . . . . 0.0 111.076 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 m 70.82 161.16 0.22 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.175 0.512 . . . . 0.0 111.041 175.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 172.36 -15.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -171.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.88 93.29 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 122.59 1.185 . . . . 0.0 111.178 172.17 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.441 ' O ' ' HB1' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -69.06 145.48 53.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.86 173.827 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 9' ' ' GLN . . . -177.72 147.91 0.52 Allowed 'General case' 0 C--O 1.249 1.058 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.373 173.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 39' ' ' ARG . 23.0 p -74.55 170.95 14.71 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 122.592 1.187 . . . . 0.0 112.496 -171.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -61.24 -53.08 61.34 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.182 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.744 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 1.4 mm -53.01 -28.76 14.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -172.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.442 ' HA ' HD13 ' A' ' 19' ' ' LEU . 5.5 m -79.36 -36.94 38.53 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.653 0.74 . . . . 0.0 110.883 -179.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.85 -64.05 0.94 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 123.468 1.604 . . . . 0.0 111.723 172.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mp -68.9 -46.37 68.52 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 120.356 -1.465 . . . . 0.0 110.424 -169.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 1.041 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 4.4 mttt -76.31 -16.94 59.66 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.506 -173.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 57.16 71.82 0.55 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 123.436 1.589 . . . . 0.0 110.172 -175.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 1.041 ' CD2' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -133.66 -179.1 5.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.973 -179.569 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HE2' ' HB3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.77 150.2 23.06 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.964 178.043 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.762 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 5.8 t -132.58 71.76 1.48 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.274 0.559 . . . . 0.0 112.234 -177.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.607 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.2 p -39.57 -23.38 0.01 OUTLIER 'General case' 0 C--O 1.246 0.901 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 169.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.762 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 18.6 mttt 87.72 2.45 0.38 Allowed 'General case' 0 C--O 1.252 1.191 0 C-N-CA 124.616 1.166 . . . . 0.0 113.76 168.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 1.02 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.5 pt-20 -45.57 157.74 0.09 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 122.663 1.221 . . . . 0.0 111.908 170.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.906 ' HD3' ' CZ ' ' A' ' 40' ' ' TYR . 6.4 mmmm -138.97 155.24 73.02 Favored Pre-proline 0 C--O 1.247 0.953 0 CA-C-N 115.08 -0.963 . . . . 0.0 111.396 -171.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.667 ' HG2' ' HD3' ' A' ' 27' ' ' LYS . 91.8 Cg_endo -65.0 -38.83 1.05 Allowed 'Cis proline' 0 N--CA 1.529 3.593 0 N-CA-C 115.968 1.488 . . . . 0.0 115.968 -3.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.667 ' HD3' ' HG2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -101.78 141.23 34.96 Favored 'General case' 0 C--O 1.25 1.104 0 O-C-N 121.391 -0.818 . . . . 0.0 110.102 172.581 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.02 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -55.84 -176.96 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.689 1.233 . . . . 0.0 110.104 171.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.728 ' O ' ' HG2' ' A' ' 33' ' ' LYS . . . -62.62 -39.78 94.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 123.408 1.575 . . . . 0.0 109.739 170.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.691 ' HG2' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -44.66 -72.95 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 174.739 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.48 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 61.9 m -59.1 -43.48 91.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.778 0.799 . . . . 0.0 110.442 -170.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -60.11 -33.33 71.98 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.077 0.942 . . . . 0.0 110.018 -176.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.728 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 1.2 mmtt -76.92 -28.13 55.16 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.138 0.97 . . . . 0.0 111.856 -175.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.52 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 13.4 m-80 -111.64 11.02 21.11 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.734 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 43.81 83.07 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.407 1.099 . . . . 0.0 111.274 -172.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.52 ' CE2' ' HB3' ' A' ' 34' ' ' ASN . 27.9 m0 -125.29 174.61 8.01 Favored 'General case' 0 C--O 1.248 0.998 0 O-C-N 121.173 -0.955 . . . . 0.0 110.033 -176.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -107.57 63.75 0.63 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 122.277 1.036 . . . . 0.0 110.511 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.8 t -37.44 110.71 0.13 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.793 1.282 . . . . 0.0 111.264 172.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.482 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -95.91 149.6 21.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.195 -0.912 . . . . 0.0 109.911 170.66 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.906 ' CZ ' ' HD3' ' A' ' 25' ' ' LYS . 9.7 m-85 -141.03 170.36 15.88 Favored 'General case' 0 C--O 1.251 1.144 0 C-N-CA 123.569 0.748 . . . . 0.0 110.217 177.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.865 ' HB3' ' HD2' ' A' ' 42' ' ' PRO . 36.5 m -50.99 170.96 0.18 Allowed Pre-proline 0 C--N 1.319 -0.745 0 O-C-N 120.937 -1.102 . . . . 0.0 110.15 169.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.865 ' HD2' ' HB3' ' A' ' 41' ' ' SER . 2.5 Cg_endo -41.54 -82.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.528 3.55 1 C-N-CA 126.889 5.059 . . . . 0.0 114.8 -177.189 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt . . . . . 0 C--O 1.271 2.23 0 CA-C-O 122.02 0.914 . . . . 0.0 111.097 -173.775 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.673 0 CA-C-O 121.634 0.731 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt 46.21 33.38 1.76 Allowed 'General case' 0 C--O 1.246 0.909 0 O-C-N 121.338 -0.851 . . . . 0.0 113.188 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.434 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 1.8 pp -154.08 41.45 0.5 Allowed 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.626 -0.671 . . . . 0.0 111.544 171.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.434 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 25.2 tp 95.28 -84.92 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 126.471 1.909 . . . . 0.0 110.096 -170.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -176.6 -75.08 0.01 OUTLIER 'General case' 0 C--O 1.244 0.794 0 O-C-N 121.7 -0.625 . . . . 0.0 111.062 -176.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.92 114.39 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.108 0.956 . . . . 0.0 112.566 -177.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.486 ' CG2' ' H ' ' A' ' 8' ' ' GLU . 1.9 tp -169.91 -79.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 122.89 1.329 . . . . 0.0 109.974 169.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.486 ' H ' ' CG2' ' A' ' 7' ' ' ILE . 16.6 tt0 164.0 110.73 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 114.036 -1.438 . . . . 0.0 110.185 170.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.481 ' O ' ' HB1' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -51.64 153.59 2.29 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.121 0.963 . . . . 0.0 110.579 -177.501 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.481 ' HB1' ' O ' ' A' ' 9' ' ' GLN . . . 171.92 147.29 0.04 OUTLIER 'General case' 0 C--O 1.25 1.081 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.097 -171.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 20.5 p -72.82 172.31 11.05 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 122.698 1.237 . . . . 0.0 112.733 -170.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.807 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 6.6 t0 -68.68 -41.26 79.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.499 -178.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.532 HG23 ' CE3' ' A' ' 36' ' ' TRP . 1.8 mm -59.73 -29.18 42.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -177.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.7 m -77.86 -33.16 52.27 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.939 1.352 . . . . 0.0 110.111 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.807 ' HG3' ' HA ' ' A' ' 12' ' ' ASP . 21.0 mtp180 -50.39 -63.84 1.0 Allowed 'General case' 0 C--O 1.242 0.68 0 CA-C-O 123.265 1.507 . . . . 0.0 111.091 170.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.603 HD11 ' O ' ' A' ' 12' ' ' ASP . 2.9 mp -65.21 -52.41 54.92 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 120.685 -1.259 . . . . 0.0 110.776 -168.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.729 ' HB2' HD21 ' A' ' 19' ' ' LEU . 5.1 mptt -75.71 -18.75 59.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.472 -173.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.0 mttp 59.02 74.22 0.45 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 123.892 1.806 . . . . 0.0 109.208 -171.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.729 HD21 ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -121.29 165.8 14.95 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.187 -1.369 . . . . 0.0 109.804 -178.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.775 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -87.58 135.61 33.28 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.568 0.699 . . . . 0.0 110.629 172.013 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.1 t -118.36 79.42 1.38 Allowed 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.844 -0.535 . . . . 0.0 112.392 -170.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.611 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 10.1 p -39.45 -29.71 0.05 Allowed 'General case' 0 C--O 1.243 0.74 0 O-C-N 121.425 -0.797 . . . . 0.0 112.882 168.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.611 ' HB2' ' O ' ' A' ' 22' ' ' SER . 2.9 mttp 87.88 7.9 0.18 Allowed 'General case' 0 C--O 1.255 1.384 0 C-N-CA 124.647 1.179 . . . . 0.0 113.717 169.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 1.033 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.5 pt-20 -46.35 156.37 0.17 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 122.783 1.277 . . . . 0.0 110.618 169.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.418 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 4.2 mttt -137.81 147.81 58.31 Favored Pre-proline 0 C--O 1.244 0.765 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.154 -168.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.489 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 97.5 Cg_endo -65.98 -42.21 0.67 Allowed 'Cis proline' 0 N--CA 1.531 3.705 0 N-CA-C 115.726 1.395 . . . . 0.0 115.726 -3.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.561 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -103.11 133.05 48.87 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 120.926 -1.109 . . . . 0.0 110.38 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.033 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -55.9 -175.49 0.01 OUTLIER 'General case' 0 C--O 1.241 0.639 0 CA-C-O 122.682 1.229 . . . . 0.0 110.205 173.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 33' ' ' LYS . . . -58.2 -43.88 87.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.735 1.255 . . . . 0.0 109.873 170.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.581 ' HG3' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -53.1 -68.29 0.18 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 -178.162 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.561 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 55.5 m -57.22 -37.63 72.54 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.782 -0.574 . . . . 0.0 110.454 -175.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.721 ' O ' HD21 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -59.73 -39.2 83.89 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 122.131 0.967 . . . . 0.0 110.192 179.117 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 29.9 mmtt -68.1 -31.47 71.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 123.16 1.457 . . . . 0.0 110.835 -177.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.544 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . 2.7 m120 -110.28 2.04 18.95 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-N 114.981 -1.008 . . . . 0.0 112.615 -170.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 47.98 78.32 0.08 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.607 1.194 . . . . 0.0 110.82 -171.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.544 ' CD2' ' HB2' ' A' ' 34' ' ' ASN . 18.0 m0 -126.0 178.22 5.88 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 123.695 0.798 . . . . 0.0 110.752 -172.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.637 ' HG2' ' HD3' ' A' ' 39' ' ' ARG . 6.1 tt0 -107.1 64.75 0.64 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.075 0.94 . . . . 0.0 111.59 -178.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.404 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 11.2 t -45.99 98.31 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.202 1.001 . . . . 0.0 111.435 172.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.637 ' HD3' ' HG2' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -107.3 98.61 8.22 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.842 1.306 . . . . 0.0 113.635 178.001 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.61 ' O ' ' HB2' ' A' ' 41' ' ' SER . 29.5 m-85 -98.46 -33.64 10.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 121.197 -0.939 . . . . 0.0 109.392 169.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.61 ' HB2' ' O ' ' A' ' 40' ' ' TYR . 3.5 m 81.09 153.63 0.12 Allowed Pre-proline 0 C--N 1.319 -0.747 0 CA-C-O 121.933 0.873 . . . . 0.0 110.961 177.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -74.13 -33.4 5.92 Favored 'Trans proline' 0 N--CA 1.526 3.439 1 C-N-CA 126.164 4.576 . . . . 0.0 115.07 -177.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.27 2.178 0 CA-C-O 121.931 0.872 . . . . 0.0 111.018 -175.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.5 mtp . . . . . 0 CA--C 1.511 -0.544 0 CA-C-O 121.887 0.851 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? -82.76 -29.45 29.66 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.279 0.562 . . . . 0.0 111.289 172.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 17.1 tp -94.29 30.26 1.99 Allowed 'General case' 0 C--N 1.319 -0.725 0 O-C-N 121.599 -0.688 . . . . 0.0 111.589 -173.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 tp -143.03 64.6 1.35 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.932 0.872 . . . . 0.0 110.701 172.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.18 164.5 23.24 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.404 0.621 . . . . 0.0 110.517 172.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 m -54.81 166.51 0.48 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.075 0.941 . . . . 0.0 110.776 172.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.414 ' CG2' ' H ' ' A' ' 8' ' ' GLU . 4.2 tp -143.99 -150.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.252 1.192 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 172.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.414 ' H ' ' CG2' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -82.24 -28.88 31.62 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.34 0.59 . . . . 0.0 111.524 -171.869 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.818 ' HG2' ' HE3' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -69.56 128.23 35.78 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 167.825 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.433 ' HB1' ' O ' ' A' ' 9' ' ' GLN . . . -176.49 131.68 0.21 Allowed 'General case' 0 C--O 1.263 1.786 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 172.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.553 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 20.5 p -65.22 159.26 24.08 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 123.235 1.493 . . . . 0.0 113.124 -167.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.525 ' O ' ' HB3' ' A' ' 16' ' ' LEU . 11.7 t70 -60.28 -32.08 70.85 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.401 -177.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.8 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -70.27 -33.21 53.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.451 0.643 . . . . 0.0 112.67 -176.459 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.434 ' HA ' HD11 ' A' ' 19' ' ' LEU . 2.5 m -82.68 -38.23 23.72 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.855 0.836 . . . . 0.0 111.453 -172.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -67.79 -59.01 3.65 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 172.112 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.525 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -48.11 -56.42 7.85 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 120.962 -1.086 . . . . 0.0 110.282 174.185 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.8 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 10.7 mmtt -78.02 -10.47 59.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.32 -176.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 mttm 58.21 29.07 17.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 123.98 1.848 . . . . 0.0 112.23 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.767 ' CD2' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -96.72 174.46 6.8 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.191 -1.368 . . . . 0.0 111.029 174.138 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mtmm -89.01 147.29 24.36 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.323 -172.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.496 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 8.5 t -124.6 94.76 4.29 Favored 'General case' 0 C--O 1.244 0.8 0 O-C-N 121.525 -0.734 . . . . 0.0 112.823 -171.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.2 p -49.99 -17.53 0.41 Allowed 'General case' 0 C--O 1.25 1.115 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 167.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.818 ' HE3' ' HG2' ' A' ' 9' ' ' GLN . 0.9 OUTLIER 63.83 -4.39 0.36 Allowed 'General case' 0 C--O 1.263 1.814 0 N-CA-C 118.061 2.615 . . . . 0.0 118.061 -178.481 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 1.124 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.6 pt-20 -43.51 160.79 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 121.481 1.946 . . . . 0.0 110.73 170.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 1.9 mtpm? -136.08 149.98 69.87 Favored Pre-proline 0 C--O 1.242 0.68 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.424 -168.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.489 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 95.7 Cg_endo -66.36 -43.27 0.56 Allowed 'Cis proline' 0 N--CA 1.532 3.782 0 N-CA-C 115.754 1.405 . . . . 0.0 115.754 -3.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.494 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -100.25 139.04 36.49 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 120.981 -1.074 . . . . 0.0 109.53 175.547 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.124 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.5 p -53.88 179.53 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.798 1.285 . . . . 0.0 109.848 171.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.428 ' N ' ' CD ' ' A' ' 24' ' ' GLU . . . -51.23 -46.36 62.24 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.963 1.363 . . . . 0.0 109.555 171.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.631 ' HG2' ' HZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -69.62 -50.11 47.41 Favored 'General case' 0 C--O 1.266 1.948 0 N-CA-C 116.542 2.053 . . . . 0.0 116.542 -169.731 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.456 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 67.9 m -57.91 -38.88 76.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 120.321 1.419 . . . . 0.0 108.981 179.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.445 ' C ' HD12 ' A' ' 32' ' ' LEU . 2.7 tm? -62.02 -36.53 81.84 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.424 0.631 . . . . 0.0 110.599 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -70.46 -29.71 66.33 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 123.294 1.521 . . . . 0.0 111.313 -178.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.497 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . 28.1 m120 -107.87 -1.32 20.87 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 124.696 1.198 . . . . 0.0 112.021 -172.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.29 78.19 0.09 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 122.905 1.336 . . . . 0.0 110.846 -170.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.631 ' HZ3' ' HG2' ' A' ' 30' ' ' LYS . 15.8 m0 -123.02 178.22 5.17 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 124.281 1.032 . . . . 0.0 110.423 -172.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.74 63.95 0.62 Allowed 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.174 -0.953 . . . . 0.0 111.45 -177.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.434 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 20.1 t -50.19 96.71 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.494 1.14 . . . . 0.0 111.731 175.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.41 108.21 19.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 123.325 1.536 . . . . 0.0 114.112 173.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 11' ' ' CYS . 52.7 m-85 -95.94 -35.45 11.43 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 120.465 -1.397 . . . . 0.0 110.15 177.061 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.805 ' N ' ' HD2' ' A' ' 42' ' ' PRO . 0.9 OUTLIER 162.06 -49.45 0.0 OUTLIER Pre-proline 0 C--N 1.318 -0.768 0 CA-C-O 122.077 0.942 . . . . 0.0 110.506 -177.095 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.805 ' HD2' ' N ' ' A' ' 41' ' ' SER . 24.9 Cg_endo -55.59 -69.37 0.05 OUTLIER 'Trans proline' 0 N--CA 1.528 3.544 1 C-N-CA 126.586 4.857 . . . . 0.0 114.982 177.682 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.405 ' H ' ' HG2' ' A' ' 42' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.187 0 CA-C-O 121.901 0.858 . . . . 0.0 111.284 -171.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.1 mmm . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 121.689 0.756 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.57 30.87 6.07 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 123.07 1.414 . . . . 0.0 110.577 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 tp -141.28 169.97 16.61 Favored 'General case' 0 CA--C 1.512 -0.517 0 O-C-N 121.372 -0.83 . . . . 0.0 110.811 -173.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -165.66 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.679 0.752 . . . . 0.0 110.789 177.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.11 -77.05 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.607 0.717 . . . . 0.0 110.648 174.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.34 -162.73 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 175.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.406 HD11 ' HA ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -177.36 96.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.254 1.299 0 O-C-N 122.094 -0.379 . . . . 0.0 111.075 172.596 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -103.01 79.04 1.71 Allowed 'General case' 0 C--N 1.317 -0.806 0 O-C-N 120.264 -1.523 . . . . 0.0 109.73 167.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.526 ' O ' ' HG3' ' A' ' 9' ' ' GLN . 9.7 pt20 -87.62 36.1 0.74 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 123.276 1.513 . . . . 0.0 114.789 -170.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.44 106.55 0.06 Allowed 'General case' 0 C--O 1.251 1.168 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.644 169.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.551 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 16.4 p -53.42 170.81 0.09 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 122.739 1.257 . . . . 0.0 112.007 -178.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -73.59 -29.07 62.17 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.929 -174.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.823 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 17.6 mm -74.19 -22.37 18.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.0 m -78.82 -37.04 41.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.179 0.99 . . . . 0.0 110.57 176.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.498 ' HG2' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -54.26 -61.86 2.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 123.148 1.451 . . . . 0.0 112.158 170.523 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.808 HD22 HD11 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -68.64 -43.1 77.01 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 120.502 -1.374 . . . . 0.0 110.381 -169.538 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.939 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -77.92 -24.32 48.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.995 -176.665 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.409 ' C ' HD12 ' A' ' 19' ' ' LEU . 22.6 mtmm 59.1 73.31 0.49 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 123.546 1.641 . . . . 0.0 110.729 -170.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.939 ' CD2' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -127.54 -175.74 3.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 122.678 1.228 . . . . 0.0 109.78 172.662 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.9 153.73 20.41 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.861 170.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.647 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 2.0 t -126.07 80.26 1.9 Allowed 'General case' 0 C--N 1.32 -0.676 0 O-C-N 121.766 -0.584 . . . . 0.0 112.047 -178.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.624 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 4.9 p -39.94 -35.01 0.32 Allowed 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.508 -0.745 . . . . 0.0 112.65 170.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.647 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 10.1 mttt 84.64 76.64 0.02 OUTLIER 'General case' 0 C--O 1.269 2.114 0 C-N-CA 124.054 0.942 . . . . 0.0 111.065 169.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 1.009 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.6 pt-20 -132.25 167.63 19.5 Favored 'General case' 0 C--N 1.315 -0.893 0 O-C-N 118.196 -2.815 . . . . 0.0 109.438 -174.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 1.1 mttp -126.35 139.7 35.26 Favored Pre-proline 0 CA--C 1.509 -0.619 0 O-C-N 121.225 -0.922 . . . . 0.0 112.735 -168.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.497 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 87.0 Cg_endo -66.7 -47.86 0.25 Allowed 'Cis proline' 0 N--CA 1.535 3.946 0 N-CA-C 116.106 1.541 . . . . 0.0 116.106 -2.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -104.28 151.18 23.72 Favored 'General case' 0 C--O 1.255 1.359 0 O-C-N 120.672 -1.267 . . . . 0.0 109.748 -176.906 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.009 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -54.01 -175.57 0.01 OUTLIER 'General case' 0 C--O 1.248 0.978 0 CA-C-O 123.08 1.419 . . . . 0.0 109.148 169.365 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.679 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -59.02 -41.93 88.96 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 123.354 1.549 . . . . 0.0 109.658 168.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.871 ' HE2' ' HG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -48.49 -72.26 0.05 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 178.426 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.678 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 56.3 m -60.94 -39.36 89.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.47 -171.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.593 HD11 ' HG3' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -56.36 -40.94 75.34 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.24 1.019 . . . . 0.0 109.618 178.422 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.679 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 6.0 mttm -70.6 -30.21 66.82 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.357 1.075 . . . . 0.0 110.985 -174.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.525 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 0.9 OUTLIER -119.41 26.15 9.61 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.055 -174.583 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 40.02 66.84 0.54 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 125.306 2.479 . . . . 0.0 111.811 174.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.56 ' CE3' HG23 ' A' ' 13' ' ' ILE . 25.1 m0 -119.16 173.28 7.02 Favored 'General case' 0 C--O 1.248 0.994 0 O-C-N 120.438 -1.414 . . . . 0.0 110.228 -171.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.69 65.98 0.65 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.039 0.924 . . . . 0.0 110.783 -175.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.447 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 10.8 t -40.69 99.19 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.834 1.302 . . . . 0.0 111.375 172.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.622 ' CZ ' ' HB2' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -96.95 105.6 17.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 124.543 2.116 . . . . 0.0 112.21 175.356 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 11' ' ' CYS . 3.0 m-85 -98.69 46.92 0.98 Allowed 'General case' 0 C--O 1.244 0.816 0 O-C-N 120.166 -1.584 . . . . 0.0 111.457 -172.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.51 137.54 69.62 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-O 121.451 0.643 . . . . 0.0 110.194 -176.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -51.97 -63.03 0.29 Allowed 'Trans proline' 0 N--CA 1.53 3.636 1 C-N-CA 126.25 4.634 . . . . 0.0 114.475 -176.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.272 2.266 0 CA-C-O 121.86 0.838 . . . . 0.0 111.002 -178.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 tpp . . . . . 0 CA--C 1.512 -0.518 0 CA-C-O 121.826 0.822 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -89.48 107.95 19.37 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.749 0.785 . . . . 0.0 110.839 173.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.95 53.93 0.71 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.907 0.86 . . . . 0.0 110.965 -176.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' A' ' 5' ' ' SER . 3.2 tp -112.03 -138.39 0.38 Allowed 'General case' 0 C--O 1.244 0.809 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.278 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 4' ' ' LEU . 1.6 t 96.35 -68.91 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 124.329 1.052 . . . . 0.0 110.716 171.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -139.42 111.23 7.26 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.567 0.698 . . . . 0.0 110.981 -173.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.441 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 3.0 tp -155.05 70.88 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-O 122.851 1.31 . . . . 0.0 111.089 174.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.21 -132.06 0.29 Allowed 'General case' 0 C--O 1.248 0.998 0 O-C-N 121.214 -0.929 . . . . 0.0 110.776 -174.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.542 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -71.99 -168.55 0.39 Allowed 'General case' 0 C--N 1.318 -0.783 0 O-C-N 120.892 -1.13 . . . . 0.0 113.443 -170.055 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 9' ' ' GLN . . . 120.18 121.84 0.0 OUTLIER 'General case' 0 C--O 1.258 1.528 0 C-N-CA 128.058 2.543 . . . . 0.0 108.464 -171.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.55 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 21.0 p -71.65 173.92 7.44 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 120.937 1.699 . . . . 0.0 110.916 -171.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.533 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 8.0 t70 -65.73 -48.39 72.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.534 0.683 . . . . 0.0 110.596 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mm -49.23 -35.25 7.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -177.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.4 m -76.54 -35.71 58.09 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.282 1.039 . . . . 0.0 109.669 -177.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.686 ' HD3' ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -49.79 -59.9 3.39 Favored 'General case' 0 C--O 1.246 0.891 0 CA-C-O 122.974 1.369 . . . . 0.0 111.789 172.041 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.686 ' CD1' ' HD3' ' A' ' 15' ' ' ARG . 8.6 mp -68.08 -48.44 65.53 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 120.183 -1.573 . . . . 0.0 110.584 -167.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.971 ' HB2' HD21 ' A' ' 19' ' ' LEU . 13.7 mmmt -77.0 -17.9 58.56 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.691 -172.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt 63.51 75.08 0.4 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 123.977 1.846 . . . . 0.0 109.281 -171.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 1.018 ' CD2' ' HE2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -129.75 168.89 15.84 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.161 -1.382 . . . . 0.0 110.121 -174.763 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 15.5 mtmt -89.14 156.86 18.54 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.478 169.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.4 t -140.35 78.44 1.66 Allowed 'General case' 0 C--O 1.246 0.879 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -173.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.599 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 6.3 p -39.17 -25.95 0.02 OUTLIER 'General case' 0 C--O 1.246 0.881 0 O-C-N 121.241 -0.912 . . . . 0.0 113.235 168.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.599 ' HB2' ' O ' ' A' ' 22' ' ' SER . 2.1 mttp 83.93 4.69 0.76 Allowed 'General case' 0 C--O 1.252 1.196 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 169.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 1.073 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.2 pt-20 -46.65 159.59 0.09 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.718 1.247 . . . . 0.0 111.612 171.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 5.7 mtpt -138.25 154.06 73.56 Favored Pre-proline 0 C--O 1.245 0.831 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.762 -170.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.476 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 81.6 Cg_endo -64.21 -41.04 0.7 Allowed 'Cis proline' 0 N--CA 1.529 3.608 0 N-CA-C 115.536 1.322 . . . . 0.0 115.536 -3.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.649 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -105.05 139.35 39.86 Favored 'General case' 0 C--O 1.246 0.878 0 O-C-N 121.082 -1.011 . . . . 0.0 110.203 174.394 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.073 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.7 p -54.28 -177.37 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.834 1.302 . . . . 0.0 109.891 171.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.442 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -52.56 -46.98 67.06 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.872 1.32 . . . . 0.0 109.678 170.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 1.018 ' HE2' ' CD2' ' A' ' 19' ' ' LEU . 9.0 tttt -68.75 -50.45 50.46 Favored 'General case' 0 C--O 1.262 1.747 0 N-CA-C 116.85 2.167 . . . . 0.0 116.85 -169.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.649 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 62.3 m -58.81 -38.35 78.44 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 120.331 -1.481 . . . . 0.0 109.02 177.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.689 HD22 ' O ' ' A' ' 32' ' ' LEU . 1.9 tt -60.47 -37.11 79.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.152 0.977 . . . . 0.0 110.304 177.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 18.3 mttp -70.33 -30.41 67.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.486 1.136 . . . . 0.0 111.362 -175.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.529 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 30.6 m-80 -114.86 7.7 15.78 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.922 -173.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 45.29 84.58 0.02 OUTLIER 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 122.117 0.96 . . . . 0.0 111.995 -171.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.622 ' CZ3' ' HG2' ' A' ' 30' ' ' LYS . 18.6 m0 -128.68 177.34 7.12 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.208 -0.933 . . . . 0.0 110.697 -171.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -106.94 64.16 0.64 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.18 0.99 . . . . 0.0 110.917 -179.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 20.5 t -43.46 94.83 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.511 1.148 . . . . 0.0 112.018 172.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.43 101.26 11.15 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 123.597 1.665 . . . . 0.0 113.068 -175.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.55 ' CE1' ' HB3' ' A' ' 11' ' ' CYS . 33.9 m-85 -97.04 145.79 25.62 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 120.516 -1.365 . . . . 0.0 110.746 -174.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.4 t -121.45 67.71 19.74 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 121.974 0.892 . . . . 0.0 110.977 -172.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.496 ' HG2' ' H ' ' A' ' 43' ' ' LYS . 37.2 Cg_endo -60.47 -74.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.529 3.56 1 C-N-CA 126.249 4.632 . . . . 0.0 114.877 -177.304 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.496 ' H ' ' HG2' ' A' ' 42' ' ' PRO . 0.8 OUTLIER . . . . . 0 C--O 1.271 2.184 0 CA-C-O 121.957 0.884 . . . . 0.0 111.027 -172.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.519 0 CA-C-O 121.839 0.828 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -56.58 172.4 0.24 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.735 0.778 . . . . 0.0 110.9 -177.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 tp -109.32 -41.62 4.59 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.608 0.718 . . . . 0.0 111.352 -172.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.89 -101.39 0.18 Allowed 'General case' 0 C--O 1.245 0.842 0 O-C-N 121.759 -0.588 . . . . 0.0 110.734 -172.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 25.06 45.58 0.01 OUTLIER 'General case' 0 C--O 1.246 0.887 0 C-N-CA 125.665 1.586 . . . . 0.0 114.701 -174.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.2 166.84 0.23 Allowed 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.101 -0.999 . . . . 0.0 112.989 170.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -179.54 92.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.259 1.583 0 CA-C-O 118.206 -0.902 . . . . 0.0 109.103 -175.244 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.13 -31.87 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 177.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.774 ' HB3' ' CG ' ' A' ' 42' ' ' PRO . 2.2 pm0 -47.81 168.18 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 124.145 1.926 . . . . 0.0 113.498 -171.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -151.56 138.26 18.82 Favored 'General case' 0 C--O 1.255 1.344 0 O-C-N 120.885 -1.134 . . . . 0.0 109.332 172.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 26.4 p -72.68 173.73 8.6 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 122.87 1.319 . . . . 0.0 113.425 -169.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.84 ' HB3' ' HB3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -57.88 -59.37 5.34 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.067 174.353 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.887 HG22 ' HD2' ' A' ' 17' ' ' LYS . 1.8 mm -51.4 -31.64 12.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -171.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.0 m -79.02 -33.46 44.86 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.734 1.254 . . . . 0.0 110.555 -177.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.798 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 50.2 mtp85 -51.61 -62.16 1.8 Allowed 'General case' 0 C--O 1.242 0.706 0 CA-C-O 123.037 1.399 . . . . 0.0 111.647 170.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.0 -50.78 64.95 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 120.608 -1.308 . . . . 0.0 110.499 -169.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 1.022 ' HD3' ' CD2' ' A' ' 19' ' ' LEU . 4.0 mtpp -77.0 -20.89 55.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.008 0.908 . . . . 0.0 111.911 -174.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER 57.69 72.21 0.53 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 124.441 2.067 . . . . 0.0 108.949 -169.687 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 1.022 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -120.29 -176.86 3.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 113.692 -1.594 . . . . 0.0 110.563 -172.129 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -88.8 143.6 26.79 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.34 0.591 . . . . 0.0 111.39 173.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 7.7 t -134.56 77.88 1.72 Allowed 'General case' 0 C--O 1.242 0.676 0 O-C-N 121.717 -0.614 . . . . 0.0 112.507 -178.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.69 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 3.9 p -40.01 -29.47 0.07 Allowed 'General case' 0 C--O 1.246 0.885 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 170.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.69 ' HB2' ' O ' ' A' ' 22' ' ' SER . 35.8 mttt 86.31 79.11 0.02 OUTLIER 'General case' 0 C--O 1.273 2.334 0 C-N-CA 124.287 1.035 . . . . 0.0 111.33 170.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 1.087 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -141.34 167.65 21.66 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 118.05 -2.906 . . . . 0.0 110.199 -173.256 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -127.82 138.49 33.02 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-O 121.82 0.819 . . . . 0.0 112.159 -169.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.522 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 87.0 Cg_endo -67.31 -47.97 0.25 Allowed 'Cis proline' 0 N--CA 1.536 3.99 0 N-CA-C 116.481 1.685 . . . . 0.0 116.481 -3.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.782 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -103.8 146.43 28.65 Favored 'General case' 0 C--O 1.252 1.209 0 O-C-N 120.675 -1.266 . . . . 0.0 109.647 -176.449 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.087 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.2 p -52.12 179.78 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 123.047 1.403 . . . . 0.0 109.356 170.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.06 -44.66 71.27 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 123.298 1.523 . . . . 0.0 109.344 169.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.883 ' HE2' ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -67.84 -45.97 73.13 Favored 'General case' 0 C--O 1.27 2.142 0 N-CA-C 115.961 1.838 . . . . 0.0 115.961 -169.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.782 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 72.3 m -65.33 -38.06 88.99 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 120.146 -1.596 . . . . 0.0 108.51 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -38.01 73.22 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.324 1.059 . . . . 0.0 110.375 175.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -71.85 -27.78 63.11 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.251 -173.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.539 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 14.3 m-80 -118.88 9.14 11.88 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.291 -175.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 47.17 83.83 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 122.092 0.949 . . . . 0.0 111.085 -171.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.647 ' CH2' ' HE2' ' A' ' 17' ' ' LYS . 22.5 m0 -127.3 172.22 10.8 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.758 0.79 . . . . 0.0 110.343 -174.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 29.7 tt0 -102.21 58.83 0.82 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.969 0.89 . . . . 0.0 111.044 -172.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.2 t -47.46 111.18 0.38 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 123.342 1.544 . . . . 0.0 111.863 -177.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.84 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -95.47 163.33 13.28 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.579 168.399 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.648 ' HB3' ' HD2' ' A' ' 42' ' ' PRO . 3.0 m-85 -134.51 126.53 29.55 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 120.409 -1.432 . . . . 0.0 111.988 -178.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.596 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.9 OUTLIER -50.81 -39.78 57.14 Favored Pre-proline 0 C--N 1.323 -0.558 0 O-C-N 121.665 -0.647 . . . . 0.0 112.568 -173.894 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.774 ' CG ' ' HB3' ' A' ' 9' ' ' GLN . 24.5 Cg_exo -63.96 -141.97 0.01 OUTLIER 'Trans proline' 0 N--CA 1.535 3.943 1 C-N-CA 126.283 4.655 . . . . 0.0 112.616 -177.177 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.271 2.202 0 CA-C-N 121.123 1.783 . . . . 0.0 111.465 -170.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 ptp . . . . . 0 CA--C 1.511 -0.53 0 CA-C-O 121.846 0.831 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -146.3 86.28 1.69 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.714 0.769 . . . . 0.0 111.047 173.593 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 73.92 79.68 0.12 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.848 0.833 . . . . 0.0 110.999 172.568 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -166.68 -46.0 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.68 0.753 . . . . 0.0 110.935 -177.913 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 74.19 157.24 0.19 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.489 0.662 . . . . 0.0 110.998 173.58 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -128.3 27.32 5.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.375 0.607 . . . . 0.0 111.77 177.63 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER 168.08 106.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.257 1.495 0 O-C-N 121.953 -0.467 . . . . 0.0 110.372 -174.526 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.468 ' HB3' ' H ' ' A' ' 9' ' ' GLN . 26.7 mm-40 -139.78 -151.31 0.36 Allowed 'General case' 0 C--N 1.315 -0.924 0 O-C-N 120.06 -1.65 . . . . 0.0 109.474 170.608 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.832 ' O ' ' HE2' ' A' ' 23' ' ' LYS . 1.5 tt0 -86.88 176.09 7.86 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.276 0.56 . . . . 0.0 111.341 -171.792 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.602 ' HB1' ' O ' ' A' ' 9' ' ' GLN . . . 172.5 143.17 0.03 OUTLIER 'General case' 0 C--O 1.253 1.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.419 170.396 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.743 ' HA ' ' HB3' ' A' ' 40' ' ' TYR . 31.8 p -78.01 177.11 8.55 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 120.694 -1.254 . . . . 0.0 111.249 -174.117 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -58.95 -39.31 81.28 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.577 0.703 . . . . 0.0 111.056 177.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.454 HG21 ' CD1' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -65.8 -36.86 78.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -173.828 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.637 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 10.9 m -79.57 -35.71 39.35 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.36 1.076 . . . . 0.0 110.565 -174.324 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.97 ' CG ' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -52.17 -61.8 2.04 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 122.706 1.241 . . . . 0.0 111.313 170.497 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.97 HD21 ' CG ' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -62.14 -54.23 44.04 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.914 1.34 . . . . 0.0 110.338 -169.521 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.909 ' HE3' HD23 ' A' ' 19' ' ' LEU . 5.4 mmmt -77.9 -19.5 54.61 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.803 -172.128 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt 60.5 75.05 0.42 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 123.201 1.477 . . . . 0.0 109.487 -171.028 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.909 HD23 ' HE3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -131.61 -178.13 4.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.365 179.835 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -88.66 147.32 24.59 Favored 'General case' 0 C--O 1.243 0.726 0 O-C-N 121.649 -0.657 . . . . 0.0 111.372 -178.006 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.637 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 43.4 t -145.11 87.11 1.8 Allowed 'General case' 0 C--O 1.243 0.734 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -171.92 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.567 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 39.8 p -67.59 5.19 0.86 Allowed 'General case' 0 C--O 1.253 1.288 0 N-CA-C 116.491 2.034 . . . . 0.0 116.491 171.776 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.832 ' HE2' ' O ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER 73.0 -8.17 1.34 Allowed 'General case' 0 C--O 1.257 1.457 0 N-CA-C 116.955 2.206 . . . . 0.0 116.955 169.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.968 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 3.0 pt-20 -41.4 153.41 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 123.378 1.561 . . . . 0.0 111.017 172.376 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.829 ' HG2' ' OH ' ' A' ' 40' ' ' TYR . 4.4 mttt -133.22 151.58 77.94 Favored Pre-proline 0 C--O 1.244 0.786 0 CA-C-N 114.661 -1.154 . . . . 0.0 112.151 -168.727 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.677 ' HG2' ' HE2' ' A' ' 27' ' ' LYS . 87.8 Cg_endo -64.6 -42.0 0.63 Allowed 'Cis proline' 0 N--CA 1.53 3.621 0 N-CA-C 115.144 1.171 . . . . 0.0 115.144 -3.426 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.677 ' HE2' ' HG2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -102.92 140.84 36.68 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.213 -0.929 . . . . 0.0 110.562 175.496 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.968 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -55.78 -175.43 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 122.639 1.209 . . . . 0.0 110.598 172.334 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.724 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -60.83 -40.21 91.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 123.168 1.461 . . . . 0.0 109.894 170.874 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.546 ' HG3' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -46.49 -72.93 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 114.644 1.349 . . . . 0.0 114.644 175.224 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.525 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 61.3 m -60.42 -40.26 90.36 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.806 -171.631 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 tt -56.6 -40.1 74.7 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.146 0.974 . . . . 0.0 109.571 179.313 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.724 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 25.9 mttp -71.27 -27.48 63.47 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.994 -174.395 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.469 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 29.9 m-80 -123.99 29.08 6.58 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -176.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 43.18 60.78 2.41 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 125.091 2.377 . . . . 0.0 113.414 171.338 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.475 ' HB2' ' CB ' ' A' ' 31' ' ' CYS . 25.6 m0 -114.75 172.0 7.3 Favored 'General case' 0 C--O 1.242 0.699 0 O-C-N 120.016 -1.677 . . . . 0.0 110.432 -169.856 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -105.95 62.17 0.66 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.593 0.711 . . . . 0.0 110.787 -174.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.501 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.4 t -43.61 97.56 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.31 1.052 . . . . 0.0 112.074 174.35 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -122.24 93.62 4.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.789 171.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.829 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -97.58 118.78 34.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 122.582 1.182 . . . . 0.0 110.185 172.146 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.43 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 1.3 m -88.12 107.85 18.43 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -169.179 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.486 ' HG2' ' H ' ' A' ' 43' ' ' LYS . 39.6 Cg_endo -61.31 -80.75 0.01 OUTLIER 'Trans proline' 0 N--CA 1.529 3.583 1 C-N-CA 126.191 4.594 . . . . 0.0 114.621 176.49 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.486 ' H ' ' HG2' ' A' ' 42' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.18 0 CA-C-O 121.831 0.824 . . . . 0.0 111.228 -172.579 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.431 ' O ' ' C ' ' A' ' 2' ' ' LYS . 12.3 mmt . . . . . 0 C--O 1.237 0.414 0 CA-C-O 120.935 0.398 . . . . 0.0 111.784 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 1' ' ' MET . 25.6 mtpt -0.09 -71.26 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 126.34 1.856 . . . . 0.0 114.543 171.148 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -37.43 -55.98 1.02 Allowed 'General case' 0 C--O 1.244 0.784 0 CA-C-O 121.636 0.731 . . . . 0.0 112.406 -171.6 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tp -72.76 -45.79 56.8 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.407 -0.808 . . . . 0.0 111.044 176.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.76 -155.53 0.02 OUTLIER 'General case' 0 C--O 1.243 0.732 0 CA-C-O 121.096 0.474 . . . . 0.0 110.628 174.852 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.05 -172.55 0.14 Allowed 'General case' 0 C--N 1.319 -0.735 0 O-C-N 121.612 -0.68 . . . . 0.0 111.328 -177.047 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -174.97 -22.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 173.24 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.51 43.86 1.26 Allowed 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 122.934 1.35 . . . . 0.0 111.964 173.343 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.75 ' HG2' ' HG2' ' A' ' 23' ' ' LYS . 1.4 tt0 -89.32 136.08 33.22 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.111 168.831 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.469 ' HB1' ' O ' ' A' ' 9' ' ' GLN . . . 177.36 145.75 0.11 Allowed 'General case' 0 C--O 1.249 1.044 0 O-C-N 122.149 -0.344 . . . . 0.0 110.304 -176.109 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.801 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 30.9 p -77.2 175.04 10.05 Favored 'General case' 0 C--N 1.317 -0.829 0 O-C-N 120.953 -1.092 . . . . 0.0 111.292 -171.394 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -42.4 97.57 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.599 0.714 . . . . 0.0 110.758 177.405 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.522 HG23 ' CE3' ' A' ' 36' ' ' TRP . 1.3 mm -60.16 -34.23 56.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -173.134 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' HA ' HD23 ' A' ' 19' ' ' LEU . 99.1 m -78.85 -30.25 45.04 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 122.545 1.164 . . . . 0.0 110.485 -178.347 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.88 ' HG2' HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -53.31 -59.45 4.55 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-O 122.326 1.06 . . . . 0.0 111.722 170.322 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.88 HD23 ' HG2' ' A' ' 15' ' ' ARG . 2.6 mm? -67.66 -51.99 43.29 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 120.612 -1.305 . . . . 0.0 110.903 -170.561 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.567 ' HB2' HD23 ' A' ' 19' ' ' LEU . 10.3 mttt -70.12 -17.87 63.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.315 -177.903 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt 67.4 45.61 1.56 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 123.204 1.478 . . . . 0.0 113.312 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.567 HD23 ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -98.67 -174.61 2.84 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.647 1.213 . . . . 0.0 109.96 170.354 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.517 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.1 OUTLIER -87.86 -151.96 0.2 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.039 170.303 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.732 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 6.2 t -174.31 89.92 0.06 Allowed 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 121.693 0.758 . . . . 0.0 113.029 170.674 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.6 p -43.5 -34.97 1.49 Allowed 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.246 -0.909 . . . . 0.0 113.245 168.617 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.75 ' HG2' ' HG2' ' A' ' 9' ' ' GLN . 9.1 mttt 88.54 12.02 0.09 Allowed 'General case' 0 C--O 1.256 1.446 0 C-N-CA 124.574 1.15 . . . . 0.0 113.459 170.91 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.902 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.5 pt-20 -46.71 150.61 0.68 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 119.639 1.108 . . . . 0.0 109.86 167.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.87 ' HG2' ' OH ' ' A' ' 40' ' ' TYR . 13.7 mttp -133.0 151.27 77.65 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-O 121.899 0.857 . . . . 0.0 112.48 -166.221 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.477 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 94.4 Cg_endo -65.82 -43.05 0.56 Allowed 'Cis proline' 0 N--CA 1.532 3.774 0 N-CA-C 115.698 1.384 . . . . 0.0 115.698 -3.478 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.676 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 11.8 mtmt -99.64 137.05 38.66 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 120.907 -1.121 . . . . 0.0 109.635 175.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.902 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -53.54 -179.64 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.887 1.327 . . . . 0.0 109.786 171.712 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.467 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -51.6 -46.26 63.49 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 123.02 1.39 . . . . 0.0 109.715 170.568 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.622 ' HG2' ' HZ3' ' A' ' 36' ' ' TRP . 2.4 tttp -67.84 -52.54 35.66 Favored 'General case' 0 C--O 1.262 1.726 0 N-CA-C 116.571 2.063 . . . . 0.0 116.571 -169.372 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.676 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 60.1 m -56.97 -41.12 77.78 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 120.385 -1.447 . . . . 0.0 108.986 177.913 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -60.75 -36.06 77.96 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 122.147 0.975 . . . . 0.0 109.866 -178.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 9.5 mttp -73.8 -28.92 61.89 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.548 1.166 . . . . 0.0 111.814 -174.349 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.525 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 32.2 m-20 -111.72 4.33 18.43 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 123.676 0.79 . . . . 0.0 111.742 -175.902 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 51.16 83.5 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.204 1.002 . . . . 0.0 110.565 -173.064 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.622 ' HZ3' ' HG2' ' A' ' 30' ' ' LYS . 25.1 m0 -129.46 177.47 7.17 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.769 0.795 . . . . 0.0 110.566 -174.344 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.55 65.34 0.64 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.85 0.833 . . . . 0.0 111.264 -179.76 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.429 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 16.0 t -45.07 97.11 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.787 0.803 . . . . 0.0 111.151 171.684 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.4 86.1 2.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 122.288 1.042 . . . . 0.0 113.677 175.43 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.87 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -102.37 55.02 0.79 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 122.182 0.992 . . . . 0.0 108.867 168.715 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 p -46.57 124.18 7.51 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.13 -170.508 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -69.57 -30.85 22.47 Favored 'Trans proline' 0 N--CA 1.533 3.804 1 C-N-CA 125.812 4.341 . . . . 0.0 114.744 176.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt . . . . . 0 C--O 1.269 2.115 0 CA-C-O 122.048 0.927 . . . . 0.0 110.953 -172.619 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 mtm . . . . . 0 C--O 1.241 0.606 0 CA-C-O 121.513 0.673 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.3 mmmt -75.78 -33.12 60.16 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.639 0.733 . . . . 0.0 110.849 172.254 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mp -87.73 -175.16 5.06 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.752 0.787 . . . . 0.0 111.131 -177.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.66 103.82 8.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.788 0.804 . . . . 0.0 111.208 -179.03 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -137.27 140.4 41.59 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.865 0.841 . . . . 0.0 110.966 -177.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.59 96.0 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.686 0.755 . . . . 0.0 111.028 175.129 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.429 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -145.49 24.58 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 123.243 1.497 . . . . 0.0 110.457 -173.486 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.46 85.57 7.39 Favored 'General case' 0 CA--C 1.513 -0.451 0 O-C-N 120.809 -1.182 . . . . 0.0 110.533 -171.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.601 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -68.85 -156.8 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.233 1.016 . . . . 0.0 112.863 -171.84 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 9' ' ' GLN . . . 99.23 123.4 0.01 OUTLIER 'General case' 0 C--O 1.259 1.557 0 C-N-CA 125.401 1.48 . . . . 0.0 109.03 172.216 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.531 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 20.3 p -77.66 174.55 10.81 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 120.931 1.696 . . . . 0.0 111.797 -169.875 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.789 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 0.9 OUTLIER -61.94 -30.8 71.15 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.354 -0.841 . . . . 0.0 112.179 177.868 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.596 HG22 ' CE3' ' A' ' 36' ' ' TRP . 8.5 mm -76.1 -30.9 20.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -172.139 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.538 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 2.6 m -80.02 -39.29 30.24 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.422 -0.799 . . . . 0.0 110.578 -178.229 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.789 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 2.0 ptm180 -54.11 -59.08 5.13 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-O 122.515 1.15 . . . . 0.0 111.45 170.481 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.448 ' HG ' ' N ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -63.0 -52.43 63.01 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 120.279 -1.513 . . . . 0.0 109.998 -169.268 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.723 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -78.9 -20.44 49.4 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.079 -172.348 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt 61.04 75.36 0.41 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 123.445 1.593 . . . . 0.0 109.482 -170.295 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.968 HD11 ' HG2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -130.28 -176.91 4.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.66 -1.154 . . . . 0.0 110.307 177.543 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.542 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 1.2 ptmt -88.57 141.69 28.32 Favored 'General case' 0 C--O 1.244 0.795 0 O-C-N 121.766 -0.584 . . . . 0.0 111.21 178.509 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.538 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 7.0 t -134.78 65.87 1.55 Allowed 'General case' 0 C--O 1.242 0.674 0 CA-C-O 122.124 0.964 . . . . 0.0 112.78 -173.842 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.641 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -44.51 -12.18 0.01 OUTLIER 'General case' 0 C--O 1.253 1.266 0 O-C-N 121.087 -1.008 . . . . 0.0 113.254 168.079 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.641 ' HB2' ' O ' ' A' ' 22' ' ' SER . 20.1 mttt 84.34 -6.43 1.03 Allowed 'General case' 0 C--O 1.253 1.248 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 165.904 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 1.004 ' HG2' ' HA ' ' A' ' 28' ' ' CYS . 2.0 pm0 -42.23 158.22 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 123.386 1.565 . . . . 0.0 113.215 177.388 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.427 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 0.8 OUTLIER -134.93 156.14 78.68 Favored Pre-proline 0 C--O 1.246 0.91 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.704 -171.126 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.479 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 80.4 Cg_endo -63.04 -40.34 0.7 Allowed 'Cis proline' 0 N--CA 1.53 3.627 0 N-CA-C 115.379 1.261 . . . . 0.0 115.379 -2.62 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.93 ' HE3' ' CB ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -107.3 142.46 37.04 Favored 'General case' 0 C--O 1.251 1.152 0 O-C-N 121.291 -0.88 . . . . 0.0 110.093 173.313 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.004 ' HA ' ' HG2' ' A' ' 24' ' ' GLU . 1.7 p -54.02 -174.56 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.906 1.336 . . . . 0.0 110.355 170.507 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.85 -42.39 89.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 123.244 1.497 . . . . 0.0 109.657 170.281 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.968 ' HG2' HD11 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -46.05 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 176.093 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.91 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 58.2 m -60.75 -39.66 89.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.613 -170.737 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.84 -37.37 79.07 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 122.249 1.024 . . . . 0.0 109.914 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -71.59 -27.99 63.52 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.134 0.968 . . . . 0.0 111.3 -174.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.555 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 41.0 m-80 -115.63 5.49 14.33 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.68 -175.135 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 49.82 82.61 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 122.159 0.981 . . . . 0.0 110.699 -171.281 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.861 ' CZ3' ' HE2' ' A' ' 30' ' ' LYS . 31.7 m0 -127.26 172.66 10.4 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.849 0.833 . . . . 0.0 110.211 -176.809 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -103.35 60.23 0.76 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.857 0.837 . . . . 0.0 110.566 -176.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.93 ' CB ' ' HE3' ' A' ' 27' ' ' LYS . 13.7 t -36.36 95.68 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 123.984 0.914 . . . . 0.0 112.582 172.345 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.83 106.04 17.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 125.24 2.448 . . . . 0.0 112.38 179.688 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.563 ' O ' ' HB3' ' A' ' 41' ' ' SER . 14.8 m-85 -105.27 -15.53 15.02 Favored 'General case' 0 C--O 1.243 0.725 0 O-C-N 119.541 -1.974 . . . . 0.0 113.095 -171.558 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.563 ' HB3' ' O ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER 84.39 162.17 0.11 Allowed Pre-proline 0 C--N 1.317 -0.83 0 C-N-CA 123.695 0.798 . . . . 0.0 109.975 -170.577 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.481 ' HB2' ' H ' ' A' ' 43' ' ' LYS . 76.3 Cg_exo -54.66 -98.53 0.0 OUTLIER 'Trans proline' 0 N--CA 1.53 3.668 1 C-N-CA 126.099 4.533 . . . . 0.0 115.119 -176.378 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.481 ' H ' ' HB2' ' A' ' 42' ' ' PRO . 27.7 mttp . . . . . 0 C--O 1.27 2.136 0 O-C-N 120.998 -1.064 . . . . 0.0 110.897 -170.279 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.8 mtp . . . . . 0 CA--C 1.51 -0.579 0 CA-C-O 121.696 0.76 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -108.77 -37.88 5.77 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.866 0.841 . . . . 0.0 110.853 177.827 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.06 106.26 4.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.61 0.719 . . . . 0.0 111.063 179.852 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.36 130.34 7.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.586 0.708 . . . . 0.0 110.914 174.602 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m 67.02 149.47 0.05 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.655 0.74 . . . . 0.0 110.927 -173.107 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.06 97.48 0.44 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.653 0.74 . . . . 0.0 110.826 -173.098 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 173.22 84.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.247 0.934 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.091 -179.63 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -108.81 95.99 6.02 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.656 1.217 . . . . 0.0 110.6 171.692 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.897 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 2.4 tt0 -48.69 147.27 2.66 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.805 -179.102 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.521 ' HB1' ' O ' ' A' ' 9' ' ' GLN . . . 176.71 143.72 0.08 Allowed 'General case' 0 C--O 1.252 1.229 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.216 171.611 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.9 p -69.21 175.47 3.86 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 122.512 1.149 . . . . 0.0 111.366 -170.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.921 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -70.5 -35.9 73.48 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 121.4 -0.812 . . . . 0.0 112.568 -175.548 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.729 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 2.3 mm -72.68 -28.35 27.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.559 0.695 . . . . 0.0 112.175 -172.103 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.3 m -78.47 -35.03 47.17 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.811 0.815 . . . . 0.0 110.567 178.059 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 1.113 ' HG3' HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -53.4 -62.0 1.94 Allowed 'General case' 0 C--O 1.245 0.85 0 CA-C-O 122.423 1.106 . . . . 0.0 111.487 172.07 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 1.113 HD12 ' HG3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -70.14 -42.65 72.27 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.974 1.369 . . . . 0.0 110.326 -169.168 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.729 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 1.4 tptt -76.11 -22.35 55.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.991 -175.048 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.6 mttm 60.12 72.83 0.51 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 124.859 2.266 . . . . 0.0 109.626 -171.696 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.935 HD22 ' HE2' ' A' ' 30' ' ' LYS . 0.7 OUTLIER -127.38 174.53 8.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 113.576 -1.647 . . . . 0.0 110.217 -173.128 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.93 143.84 26.59 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.323 170.43 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 t -127.73 76.93 1.72 Allowed 'General case' 0 C--O 1.243 0.744 0 CA-C-O 121.588 0.709 . . . . 0.0 112.461 -172.675 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.601 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.9 p -44.23 -13.72 0.02 OUTLIER 'General case' 0 C--O 1.245 0.844 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 167.099 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.897 ' NZ ' ' HB3' ' A' ' 9' ' ' GLN . 7.3 mttt 91.02 -46.23 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 125.079 1.352 . . . . 0.0 113.311 169.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.888 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 3.3 pt-20 -21.14 144.01 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 126.321 2.962 . . . . 0.0 115.885 -165.122 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.524 ' HG2' ' OH ' ' A' ' 40' ' ' TYR . 8.5 mttt -117.73 148.73 43.75 Favored Pre-proline 0 CA--C 1.51 -0.584 0 O-C-N 119.802 -1.811 . . . . 0.0 112.66 -165.656 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.468 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 97.7 Cg_endo -65.6 -41.75 0.71 Allowed 'Cis proline' 0 N--CA 1.534 3.872 0 N-CA-C 115.876 1.452 . . . . 0.0 115.876 -3.372 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.519 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -106.7 139.69 40.73 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 121.198 -0.939 . . . . 0.0 110.21 177.215 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.888 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -55.23 179.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 122.505 1.145 . . . . 0.0 110.608 176.16 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.795 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -56.05 -40.69 73.91 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 123.52 1.629 . . . . 0.0 109.408 170.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.935 ' HE2' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -50.68 -70.42 0.09 Allowed 'General case' 0 C--O 1.239 0.531 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 177.898 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 57.3 m -58.28 -40.65 82.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.465 0.65 . . . . 0.0 110.483 -173.018 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.733 ' O ' HD21 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -58.33 -38.29 76.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 122.243 1.02 . . . . 0.0 110.517 179.423 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.795 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 16.0 mtmt -71.64 -28.94 64.11 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.117 0.961 . . . . 0.0 111.205 -174.673 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.544 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 36.2 m-80 -112.61 4.09 17.06 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.485 -174.921 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 51.74 82.35 0.07 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.194 0.997 . . . . 0.0 110.4 -171.885 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.608 ' HZ3' ' HG3' ' A' ' 30' ' ' LYS . 24.9 m0 -129.05 175.15 8.91 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.775 0.798 . . . . 0.0 110.721 -175.053 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -104.3 76.77 1.35 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.953 0.882 . . . . 0.0 110.499 177.221 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.491 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 17.6 t -52.79 95.27 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.209 1.004 . . . . 0.0 110.823 171.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.612 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 1.5 ttm-85 -96.9 104.21 16.2 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 124.18 1.943 . . . . 0.0 112.121 177.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.524 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 21.7 m-85 -96.23 -25.8 15.67 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 120.56 -1.337 . . . . 0.0 110.817 173.104 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.903 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -167.22 -171.06 0.23 Allowed Pre-proline 0 C--N 1.321 -0.658 0 O-C-N 121.497 -0.752 . . . . 0.0 110.798 -171.408 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.903 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 9.8 Cg_endo -46.22 -45.21 18.75 Favored 'Trans proline' 0 N--CA 1.532 3.741 1 C-N-CA 126.489 4.793 . . . . 0.0 114.433 177.612 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.272 2.251 0 CA-C-O 121.813 0.816 . . . . 0.0 111.223 171.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.263 1.774 0 CA-C-O 118.593 -0.718 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.5 p -72.66 170.16 15.1 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 121.195 1.816 . . . . 0.0 112.578 -168.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.673 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -58.47 -42.69 88.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.158 0.98 . . . . 0.0 110.54 -179.556 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.616 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.0 OUTLIER -65.43 -28.59 44.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.491 0.662 . . . . 0.0 112.658 -172.597 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.8 m -77.85 -32.82 52.28 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.859 1.314 . . . . 0.0 110.264 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.673 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -49.19 -64.6 0.76 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 123.688 1.709 . . . . 0.0 110.816 170.626 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.61 HD12 ' O ' ' A' ' 12' ' ' ASP . 2.2 mp -66.34 -51.39 57.7 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 120.515 -1.365 . . . . 0.0 110.743 -168.426 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.914 ' HB2' HD22 ' A' ' 19' ' ' LEU . 10.2 mmtm -75.81 -18.47 59.48 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.828 -172.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? 60.42 72.9 0.5 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 123.506 1.622 . . . . 0.0 109.311 -170.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.914 HD22 ' HB2' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -127.31 156.5 41.85 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.733 -176.066 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.72 146.85 35.7 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.447 0.641 . . . . 0.0 110.907 172.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.558 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 24.9 t -130.71 80.05 1.93 Allowed 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.728 -0.607 . . . . 0.0 112.14 -171.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.574 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 6.3 p -40.44 -26.93 0.04 OUTLIER 'General case' 0 C--O 1.247 0.95 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 169.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.574 ' HB2' ' O ' ' A' ' 22' ' ' SER . 13.7 mttt 84.89 9.19 0.4 Allowed 'General case' 0 C--O 1.251 1.168 0 O-C-N 120.834 -1.166 . . . . 0.0 113.61 170.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.96 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.7 pt-20 -46.29 152.91 0.38 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 122.472 1.13 . . . . 0.0 110.407 168.348 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.4 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 66.9 mttt -133.79 147.43 64.31 Favored Pre-proline 0 C--O 1.242 0.68 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.125 -167.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.567 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 98.2 Cg_endo -66.34 -45.21 0.36 Allowed 'Cis proline' 0 N--CA 1.532 3.742 0 N-CA-C 115.752 1.405 . . . . 0.0 115.752 -3.392 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.668 ' HD3' ' HB3' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -98.94 137.77 37.01 Favored 'General case' 0 C--O 1.245 0.835 0 O-C-N 120.623 -1.298 . . . . 0.0 110.066 178.896 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.96 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -57.35 -174.18 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.527 1.156 . . . . 0.0 110.446 174.478 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.597 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -63.25 -40.18 96.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 123.205 1.478 . . . . 0.0 109.943 170.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.587 ' HG3' ' HZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -45.86 -71.64 0.07 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 175.892 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.489 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 83.5 m -60.66 -39.87 89.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.551 -172.098 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 32' ' ' LEU . 2.9 tt -57.89 -37.11 73.38 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.301 1.048 . . . . 0.0 110.08 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.597 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 6.2 mtpp -71.9 -30.87 65.84 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.068 0.937 . . . . 0.0 111.15 -173.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.491 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 12.7 m-80 -112.5 5.76 18.16 Favored 'General case' 0 C--O 1.249 1.042 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.218 -175.142 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 t30 51.43 82.37 0.06 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 122.464 1.126 . . . . 0.0 110.454 -171.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.616 ' CE3' HG21 ' A' ' 13' ' ' ILE . 29.7 m0 -128.27 173.16 10.39 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-O 121.625 0.726 . . . . 0.0 110.395 -176.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -106.02 64.23 0.68 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.801 0.81 . . . . 0.0 110.557 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.668 ' HB3' ' HD3' ' A' ' 27' ' ' LYS . 9.8 t -44.96 97.99 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.458 1.123 . . . . 0.0 112.009 175.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.319 -0.726 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.911 172.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.495 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 39' ' ' ARG . 30.4 p -72.43 175.06 6.55 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 120.264 1.393 . . . . 0.0 113.433 -166.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.683 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 9.9 t70 -59.03 -49.28 78.49 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.069 175.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.601 HG21 ' CE3' ' A' ' 36' ' ' TRP . 3.0 mm -56.28 -30.58 30.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -172.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.2 m -77.42 -30.74 53.64 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 123.083 1.42 . . . . 0.0 109.899 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.683 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -52.36 -62.82 1.4 Allowed 'General case' 0 C--O 1.241 0.609 0 CA-C-O 122.849 1.309 . . . . 0.0 111.694 170.077 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.92 -52.65 58.84 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.457 1.123 . . . . 0.0 110.728 -169.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.917 ' HB2' HD22 ' A' ' 19' ' ' LEU . 5.0 mmmt -74.97 -21.15 59.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 122.103 0.954 . . . . 0.0 111.655 -175.293 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' C ' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER 56.18 74.95 0.37 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 124.715 2.198 . . . . 0.0 108.914 -169.848 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.917 HD22 ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -120.24 178.18 4.74 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 113.38 -1.736 . . . . 0.0 109.899 179.613 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -89.04 151.26 22.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.775 170.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.1 t -130.88 78.77 1.86 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.321 0.581 . . . . 0.0 112.526 -175.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.65 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 10.3 p -39.47 -29.86 0.06 Allowed 'General case' 0 C--O 1.244 0.77 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 169.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.65 ' HB2' ' O ' ' A' ' 22' ' ' SER . 7.7 mttp 87.64 7.52 0.2 Allowed 'General case' 0 C--O 1.252 1.191 0 C-N-CA 124.4 1.08 . . . . 0.0 113.737 169.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 1.148 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.8 pt-20 -44.66 159.56 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 122.659 1.219 . . . . 0.0 111.252 170.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.35 145.85 51.38 Favored Pre-proline 0 C--O 1.244 0.807 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.442 -169.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.485 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 99.0 Cg_endo -66.6 -45.9 0.33 Allowed 'Cis proline' 0 N--CA 1.531 3.705 0 N-CA-C 115.745 1.402 . . . . 0.0 115.745 -3.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.485 ' HG2' ' HG2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -96.52 138.04 34.7 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 120.603 -1.311 . . . . 0.0 109.541 179.621 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 1.148 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -56.25 -172.2 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 123.2 1.476 . . . . 0.0 110.359 172.074 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.742 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -63.63 -40.02 95.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 122.627 1.203 . . . . 0.0 110.578 170.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.898 ' HD3' HD23 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -46.78 -72.57 0.05 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 173.605 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.415 ' HA ' ' HB2' ' A' ' 36' ' ' TRP . 35.4 m -72.23 -13.21 61.47 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.241 1.019 . . . . 0.0 113.706 -168.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -76.84 -43.63 35.45 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 119.984 -1.697 . . . . 0.0 110.241 167.757 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.742 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 4.5 mttm -69.2 -27.73 65.76 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.536 1.16 . . . . 0.0 111.292 -171.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.503 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 19.0 m-80 -114.66 -3.07 12.91 Favored 'General case' 0 C--O 1.254 1.337 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -171.043 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 t30 59.33 51.96 6.34 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 125.081 2.372 . . . . 0.0 109.419 -175.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.601 ' CE3' HG21 ' A' ' 13' ' ' ILE . 42.9 m0 -98.83 172.86 7.17 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 114.228 -1.351 . . . . 0.0 110.881 169.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -108.24 71.24 0.79 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.008 0.908 . . . . 0.0 110.858 -173.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.417 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 10.6 t -45.67 107.05 0.09 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.929 1.347 . . . . 0.0 111.4 177.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.502 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.712 169.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.55 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.3 p -77.36 174.97 10.2 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 120.82 1.645 . . . . 0.0 113.452 -166.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.825 ' HA ' ' HD2' ' A' ' 15' ' ' ARG . 8.1 t70 -54.78 -43.32 72.7 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-O 122.35 1.071 . . . . 0.0 111.468 176.134 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.533 HG21 ' CE3' ' A' ' 36' ' ' TRP . 2.4 mm -65.18 -27.24 41.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -175.374 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.6 m -77.97 -36.42 49.05 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.395 0.617 . . . . 0.0 110.508 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.825 ' HD2' ' HA ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -52.4 -59.09 4.84 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-O 122.322 1.058 . . . . 0.0 111.452 171.139 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.78 -52.28 61.03 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 120.576 -1.327 . . . . 0.0 110.517 -168.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.845 ' HB2' HD22 ' A' ' 19' ' ' LEU . 2.3 mptp? -76.41 -20.07 57.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.133 -0.939 . . . . 0.0 111.791 -173.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? 61.08 71.54 0.56 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 123.737 1.732 . . . . 0.0 109.298 -171.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.845 HD22 ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -124.18 164.58 19.2 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.294 -1.321 . . . . 0.0 109.982 -172.496 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.43 ' H ' ' HG3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.14 138.93 31.01 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.408 0.623 . . . . 0.0 110.931 172.157 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.584 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 5.6 t -119.05 82.08 1.81 Allowed 'General case' 0 C--N 1.32 -0.701 0 O-C-N 121.881 -0.512 . . . . 0.0 112.251 -172.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.613 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.8 p -39.9 -29.54 0.07 Allowed 'General case' 0 C--O 1.244 0.782 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 169.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.613 ' HB2' ' O ' ' A' ' 22' ' ' SER . 24.8 mttp 86.02 11.8 0.2 Allowed 'General case' 0 C--O 1.251 1.171 0 C-N-CA 124.635 1.174 . . . . 0.0 113.923 169.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 1.015 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 3.0 pt-20 -52.04 161.44 0.59 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 123.291 1.52 . . . . 0.0 113.019 168.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -135.53 149.33 69.07 Favored Pre-proline 0 C--O 1.245 0.832 0 CA-C-N 114.51 -1.223 . . . . 0.0 112.483 -170.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -66.36 -44.07 0.47 Allowed 'Cis proline' 0 N--CA 1.532 3.764 0 N-CA-C 115.73 1.396 . . . . 0.0 115.73 -3.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.32 139.41 35.02 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 120.914 -1.116 . . . . 0.0 109.458 177.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 1.015 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.4 p -54.19 178.74 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 122.642 1.211 . . . . 0.0 110.27 173.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.744 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -58.88 -39.16 80.56 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 123.734 1.73 . . . . 0.0 109.045 171.15 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.77 ' HE2' ' CD2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -45.73 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 174.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.454 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 63.1 m -61.24 -41.49 96.98 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.431 -170.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.467 HD13 ' C ' ' A' ' 32' ' ' LEU . 1.4 tm? -59.04 -35.22 72.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.049 0.928 . . . . 0.0 110.637 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.744 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 2.1 mtmp? -73.17 -29.78 63.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.134 0.968 . . . . 0.0 111.51 -176.037 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.469 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 43.5 m-80 -111.96 8.01 20.11 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.119 -177.295 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 45.35 81.4 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.222 1.011 . . . . 0.0 111.302 -171.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.634 ' HZ3' ' HG3' ' A' ' 30' ' ' LYS . 17.9 m0 -123.68 -178.08 3.92 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.824 0.821 . . . . 0.0 110.466 -172.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -108.0 84.92 2.03 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.795 0.807 . . . . 0.0 111.572 173.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.3 t -63.07 91.81 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.998 0.904 . . . . 0.0 111.045 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.708 0 CA-C-O 123.449 1.595 . . . . 0.0 110.759 172.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.7 p -58.91 171.27 0.7 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 122.475 1.131 . . . . 0.0 112.499 -169.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.825 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 8.6 t0 -58.78 -58.33 9.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.106 -174.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 1.034 HG12 HD21 ' A' ' 16' ' ' LEU . 3.8 mt -73.81 -10.48 13.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -169.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.1 m -76.98 -28.11 54.98 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 123.887 1.803 . . . . 0.0 108.551 167.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.825 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -63.19 -61.13 2.57 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-N 114.955 -1.021 . . . . 0.0 112.998 167.638 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 1.034 HD21 HG12 ' A' ' 13' ' ' ILE . 3.0 pp -68.55 -42.06 78.91 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 123.645 1.688 . . . . 0.0 109.639 -169.034 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.784 ' HB3' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -78.27 -25.65 46.84 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 114.295 -1.321 . . . . 0.0 111.885 -174.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.89 71.75 0.55 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 123.747 1.737 . . . . 0.0 109.575 -169.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.784 HD22 ' HB3' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -125.79 -177.67 4.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.33 -1.304 . . . . 0.0 110.515 -174.799 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt -89.0 147.92 24.03 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.002 171.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.796 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 5.5 t -137.63 68.81 1.4 Allowed 'General case' 0 C--O 1.245 0.817 0 CA-C-O 121.268 0.556 . . . . 0.0 112.386 -178.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.636 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 6.3 p -39.41 -24.57 0.01 OUTLIER 'General case' 0 C--O 1.245 0.847 0 O-C-N 121.339 -0.85 . . . . 0.0 112.93 168.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.796 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 5.0 mtpm? 86.77 8.63 0.23 Allowed 'General case' 0 C--O 1.253 1.244 0 C-N-CA 124.552 1.141 . . . . 0.0 113.994 168.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.848 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 0.7 OUTLIER -46.77 155.24 0.26 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 122.774 1.274 . . . . 0.0 110.65 169.156 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.404 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -137.22 152.99 74.58 Favored Pre-proline 0 C--O 1.243 0.712 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.02 -168.023 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.404 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 97.2 Cg_endo -65.33 -38.88 1.07 Allowed 'Cis proline' 0 N--CA 1.532 3.756 0 N-CA-C 115.697 1.383 . . . . 0.0 115.697 -3.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.732 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -104.37 139.95 38.6 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 121.294 -0.878 . . . . 0.0 110.401 174.59 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.848 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.7 p -56.94 -173.11 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.557 1.17 . . . . 0.0 110.276 172.258 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.685 ' O ' ' HG2' ' A' ' 33' ' ' LYS . . . -62.16 -43.39 98.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.989 1.376 . . . . 0.0 109.974 170.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.904 ' HE2' ' CZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -46.52 -71.1 0.08 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 177.565 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.732 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 55.7 m -59.65 -41.41 90.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.907 -172.02 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.59 HD23 ' O ' ' A' ' 32' ' ' LEU . 1.1 tt -59.76 -34.58 73.16 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.253 1.025 . . . . 0.0 110.253 -177.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.685 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 6.4 mmtp -73.22 -32.98 65.09 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.333 1.064 . . . . 0.0 111.44 -174.378 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.517 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 13.0 m-80 -109.45 5.71 23.57 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.694 -177.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.0 t30 50.42 85.03 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.947 0.88 . . . . 0.0 110.688 -171.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.904 ' CZ3' ' HE2' ' A' ' 30' ' ' LYS . 35.6 m0 -128.99 171.39 12.4 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.462 -0.774 . . . . 0.0 110.289 -177.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -100.85 64.42 1.08 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.635 0.731 . . . . 0.0 110.61 -175.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.7 t -44.7 94.04 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.093 0.949 . . . . 0.0 111.72 173.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 . . . . . 0 C--N 1.318 -0.796 0 CA-C-O 122.46 1.124 . . . . 0.0 112.657 -179.317 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.253 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.731 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 26.6 p -59.59 171.95 0.77 Allowed 'General case' 0 C--N 1.315 -0.901 0 O-C-N 121.377 -0.827 . . . . 0.0 112.111 -169.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.707 ' O ' HD23 ' A' ' 16' ' ' LEU . 14.4 t70 -57.66 -37.26 73.08 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.008 0.909 . . . . 0.0 111.008 178.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.657 HG21 ' CE3' ' A' ' 36' ' ' TRP . 2.2 mm -74.41 -26.54 20.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -172.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.5 m -78.58 -33.85 47.34 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.908 1.337 . . . . 0.0 110.373 178.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.731 ' HG2' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -51.3 -65.21 0.6 Allowed 'General case' 0 C--O 1.241 0.608 0 CA-C-O 123.437 1.589 . . . . 0.0 110.988 171.292 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 12' ' ' ASP . 0.8 OUTLIER -67.54 -46.24 73.35 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.846 1.308 . . . . 0.0 110.501 -168.521 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.893 ' HB3' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -76.88 -21.68 54.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.972 -174.075 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.471 ' O ' HD12 ' A' ' 19' ' ' LEU . 8.2 mttt 61.03 73.07 0.49 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 123.531 1.634 . . . . 0.0 109.678 -170.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.893 HD13 ' HB3' ' A' ' 17' ' ' LYS . 1.0 OUTLIER -126.84 168.99 13.7 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.338 -175.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.475 ' H ' ' HG2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.32 148.51 24.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.85 171.83 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.7 t -132.78 76.91 1.71 Allowed 'General case' 0 C--O 1.245 0.858 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -172.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.638 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 4.6 p -39.05 -26.48 0.02 OUTLIER 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.426 -0.796 . . . . 0.0 112.887 168.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.638 ' HB2' ' O ' ' A' ' 22' ' ' SER . 12.7 mttp 87.61 7.31 0.21 Allowed 'General case' 0 C--O 1.252 1.208 0 C-N-CA 124.747 1.219 . . . . 0.0 113.864 169.331 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 1.084 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.7 pt-20 -45.37 157.98 0.08 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 122.529 1.157 . . . . 0.0 110.926 170.021 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.448 ' HB2' ' HE2' ' A' ' 25' ' ' LYS . 6.1 mtmm -138.05 152.07 71.22 Favored Pre-proline 0 C--O 1.243 0.76 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.967 -169.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.447 ' HG2' ' HG3' ' A' ' 27' ' ' LYS . 83.0 Cg_endo -64.76 -42.13 0.63 Allowed 'Cis proline' 0 N--CA 1.53 3.631 0 N-CA-C 115.316 1.237 . . . . 0.0 115.316 -3.152 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.742 ' HE3' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -102.3 141.7 34.7 Favored 'General case' 0 C--N 1.318 -0.802 0 O-C-N 121.001 -1.062 . . . . 0.0 110.721 175.165 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 1.084 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -55.7 -174.66 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 122.597 1.189 . . . . 0.0 110.623 172.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.529 ' HB2' ' OE2' ' A' ' 24' ' ' GLU . . . -63.01 -39.66 95.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 123.042 1.401 . . . . 0.0 110.096 171.181 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.891 ' CG ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -48.03 -69.15 0.13 Allowed 'General case' 0 C--O 1.242 0.69 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 175.221 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.486 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 83.3 m -59.97 -41.21 91.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.553 -0.717 . . . . 0.0 110.466 -173.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.742 ' HG ' ' HE3' ' A' ' 27' ' ' LYS . 2.8 tt -58.65 -35.57 72.75 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.36 1.076 . . . . 0.0 109.986 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -75.45 -26.9 58.67 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.848 -173.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.511 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 8.1 m120 -114.22 6.61 16.28 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.354 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 50.01 84.86 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.012 0.911 . . . . 0.0 111.161 -171.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.657 ' CE3' HG21 ' A' ' 13' ' ' ILE . 28.4 m0 -130.05 173.06 11.09 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-O 121.621 0.725 . . . . 0.0 110.351 -175.304 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.21 54.74 0.7 Allowed 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.085 -1.009 . . . . 0.0 111.334 -172.06 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.534 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 13.3 t -41.52 106.34 0.06 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.915 1.34 . . . . 0.0 113.834 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.401 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 1.6 mtt180 . . . . . 0 C--O 1.248 0.998 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.831 165.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.233 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.9 p -77.46 173.99 11.35 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 120.667 -1.271 . . . . 0.0 111.416 -172.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.635 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 2.6 t70 -66.06 -50.49 63.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.569 0.699 . . . . 0.0 110.743 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.579 HG21 ' CE3' ' A' ' 36' ' ' TRP . 2.7 mm -56.3 -28.94 26.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -174.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.1 m -78.09 -32.04 50.41 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 123.139 1.447 . . . . 0.0 110.122 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.635 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -51.2 -63.02 1.27 Allowed 'General case' 0 C--O 1.242 0.673 0 CA-C-O 123.13 1.443 . . . . 0.0 111.498 170.58 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.71 -49.79 64.93 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 120.666 -1.271 . . . . 0.0 110.759 -169.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.823 ' HB2' ' CD2' ' A' ' 19' ' ' LEU . 10.5 mmtm -75.01 -21.4 59.14 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.993 0.902 . . . . 0.0 111.851 -175.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.713 ' C ' HD13 ' A' ' 19' ' ' LEU . 7.5 mttt 58.36 74.97 0.41 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 123.288 1.518 . . . . 0.0 109.805 -170.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.823 ' CD2' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -123.11 178.41 5.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.824 1.297 . . . . 0.0 109.608 172.305 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -88.97 158.78 17.92 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.843 170.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.857 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 7.5 t -139.14 78.57 1.68 Allowed 'General case' 0 C--O 1.242 0.702 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -174.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.595 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 3.5 p -39.72 -28.98 0.05 Allowed 'General case' 0 C--O 1.244 0.788 0 O-C-N 121.418 -0.801 . . . . 0.0 113.014 168.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.857 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 17.9 mttp 87.86 8.53 0.16 Allowed 'General case' 0 C--O 1.257 1.489 0 C-N-CA 124.603 1.161 . . . . 0.0 113.703 169.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 1.119 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.6 pt-20 -46.23 156.88 0.14 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 119.495 1.043 . . . . 0.0 110.165 169.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.419 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 9.6 mtmm -137.2 154.85 76.01 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-O 121.654 0.74 . . . . 0.0 112.021 -168.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.434 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 89.5 Cg_endo -64.78 -40.07 0.86 Allowed 'Cis proline' 0 N--CA 1.531 3.695 0 N-CA-C 115.69 1.381 . . . . 0.0 115.69 -3.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -102.99 142.31 34.31 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.126 -0.984 . . . . 0.0 110.286 172.841 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 1.119 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -54.35 -175.85 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.738 1.256 . . . . 0.0 110.104 171.017 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.523 ' O ' ' HG2' ' A' ' 33' ' ' LYS . . . -52.57 -49.37 65.11 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.39 1.09 . . . . 0.0 110.041 171.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.521 ' CE ' ' HG ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -72.83 -44.46 61.41 Favored 'General case' 0 C--O 1.274 2.384 0 N-CA-C 117.028 2.233 . . . . 0.0 117.028 -168.018 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.546 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 61.8 m -57.64 -40.58 79.56 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 121.326 1.875 . . . . 0.0 108.212 174.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.673 ' O ' HD13 ' A' ' 32' ' ' LEU . 2.8 tm? -60.41 -33.59 72.72 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.927 0.87 . . . . 0.0 110.86 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -75.7 -28.37 58.6 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.175 0.988 . . . . 0.0 111.985 -175.611 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.465 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 17.2 m-20 -112.74 11.23 19.38 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 123.202 0.601 . . . . 0.0 111.545 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 42.35 83.44 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.931 0.872 . . . . 0.0 111.806 -172.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.579 ' CE3' HG21 ' A' ' 13' ' ' ILE . 17.6 m0 -125.78 175.66 7.47 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.973 0.892 . . . . 0.0 110.586 -172.16 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -104.95 59.43 0.69 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.086 0.946 . . . . 0.0 110.917 -175.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.2 t -42.94 95.83 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.186 0.994 . . . . 0.0 111.866 172.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.607 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.585 0 CA-C-O 121.461 0.648 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.406 ' CB ' ' SG ' ' A' ' 38' ' ' CYS . 30.4 p -72.25 178.62 3.79 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.324 0.583 . . . . 0.0 111.141 -172.048 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -61.56 -35.1 76.84 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 121.429 -0.795 . . . . 0.0 110.944 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 1.004 HD13 HD21 ' A' ' 16' ' ' LEU . 6.9 mm -76.2 -28.18 18.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -173.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.571 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 16.6 m -79.74 -35.93 38.06 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.775 1.274 . . . . 0.0 110.137 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.622 ' HG2' ' N ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -53.19 -60.26 3.51 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-O 122.557 1.17 . . . . 0.0 111.17 169.065 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 1.03 HD12 ' HG2' ' A' ' 17' ' ' LYS . 2.3 pp -63.41 -52.23 62.47 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 120.553 -1.342 . . . . 0.0 110.488 -169.324 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 1.03 ' HG2' HD12 ' A' ' 16' ' ' LEU . 3.4 mmtm -77.51 -21.69 52.35 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.037 0.922 . . . . 0.0 111.995 -174.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.6 mttt 59.11 72.38 0.53 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 124.701 2.191 . . . . 0.0 109.424 -170.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.757 HD22 ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -120.57 -179.7 4.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 113.557 -1.656 . . . . 0.0 110.3 -173.116 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.521 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.86 141.04 28.83 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.016 171.477 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.571 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 16.5 t -136.89 80.0 1.79 Allowed 'General case' 0 C--O 1.244 0.784 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -172.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.533 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.0 p -41.75 -23.1 0.02 OUTLIER 'General case' 0 C--O 1.247 0.944 0 N-CA-C 114.05 1.129 . . . . 0.0 114.05 167.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' A' ' 22' ' ' SER . 9.0 mttp 77.33 4.11 3.17 Favored 'General case' 0 C--O 1.25 1.092 0 O-C-N 120.56 -1.338 . . . . 0.0 114.534 174.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.696 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -46.35 154.51 0.27 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 122.781 1.277 . . . . 0.0 110.631 169.858 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.442 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 79.6 mttt -135.95 154.09 77.45 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.265 -167.227 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 88.8 Cg_endo -64.8 -41.17 0.73 Allowed 'Cis proline' 0 N--CA 1.531 3.733 0 N-CA-C 115.482 1.301 . . . . 0.0 115.482 -3.118 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.53 ' HA ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -103.31 140.32 37.57 Favored 'General case' 0 C--O 1.245 0.848 0 O-C-N 121.132 -0.98 . . . . 0.0 110.39 174.096 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.696 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -56.51 -175.75 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.66 1.219 . . . . 0.0 110.235 172.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.633 ' HB2' ' OE2' ' A' ' 24' ' ' GLU . . . -62.53 -40.48 96.92 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 123.304 1.526 . . . . 0.0 109.689 170.216 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.513 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -45.87 -72.33 0.06 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 176.094 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.469 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 85.2 m -58.55 -42.73 88.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.323 -171.604 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.616 HD22 ' O ' ' A' ' 32' ' ' LEU . 1.1 tm? -59.37 -33.91 71.76 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.079 0.942 . . . . 0.0 110.0 -176.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 29.3 mmtt -77.45 -29.57 52.85 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.255 1.026 . . . . 0.0 111.886 -174.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.491 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 33.3 m-80 -105.35 4.96 31.43 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.046 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 48.64 81.16 0.05 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.242 1.02 . . . . 0.0 110.861 -171.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.614 ' CE3' HG21 ' A' ' 13' ' ' ILE . 26.4 m0 -125.96 174.28 8.53 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-O 121.673 0.749 . . . . 0.0 110.425 -175.158 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -105.1 63.28 0.7 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.796 0.808 . . . . 0.0 110.897 -176.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.53 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 8.3 t -46.08 98.55 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.892 0.853 . . . . 0.0 111.213 172.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.58 0 CA-C-O 122.736 1.255 . . . . 0.0 113.642 172.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.482 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.8 p -70.98 173.93 6.85 Favored 'General case' 0 C--N 1.315 -0.909 0 O-C-N 120.559 -1.338 . . . . 0.0 111.551 -169.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.437 ' O ' HD22 ' A' ' 16' ' ' LEU . 2.7 t70 -68.9 -27.14 65.51 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 121.821 -0.55 . . . . 0.0 112.389 -177.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.611 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.3 mm -75.76 -33.43 26.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.626 0.727 . . . . 0.0 112.27 -174.065 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.2 m -77.09 -33.24 57.02 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.647 1.213 . . . . 0.0 109.947 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.518 ' HG2' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -48.91 -62.89 1.28 Allowed 'General case' 0 C--O 1.243 0.715 0 CA-C-O 123.412 1.577 . . . . 0.0 111.234 171.681 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.518 HD13 ' HG2' ' A' ' 15' ' ' ARG . 0.5 OUTLIER -72.13 -43.21 65.06 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 120.397 -1.439 . . . . 0.0 110.736 -168.585 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.763 ' HB2' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -74.74 -18.66 60.46 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.427 -174.131 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 mttm 60.73 73.22 0.49 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 124.346 2.022 . . . . 0.0 109.449 -171.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.838 ' HG ' ' HE2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -124.19 -169.86 2.04 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 113.896 -1.502 . . . . 0.0 109.508 -174.721 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.624 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.6 OUTLIER -88.69 -152.04 0.22 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.767 167.327 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.856 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 5.6 t 179.52 81.29 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.459 0.647 . . . . 0.0 111.342 169.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.621 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 9.9 p -39.56 -31.54 0.1 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 170.222 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.856 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 47.6 mttp 87.76 5.56 0.26 Allowed 'General case' 0 C--O 1.251 1.153 0 C-N-CA 124.409 1.084 . . . . 0.0 113.339 170.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 1.055 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 3.5 pt-20 -45.18 157.16 0.09 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 122.643 1.211 . . . . 0.0 111.16 169.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -138.05 146.43 52.09 Favored Pre-proline 0 C--O 1.243 0.74 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.07 -169.446 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.429 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 94.8 Cg_endo -66.52 -45.34 0.36 Allowed 'Cis proline' 0 N--CA 1.532 3.771 0 N-CA-C 115.825 1.433 . . . . 0.0 115.825 -3.457 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.513 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -96.01 135.45 37.76 Favored 'General case' 0 C--O 1.246 0.909 0 O-C-N 120.662 -1.273 . . . . 0.0 110.169 179.288 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 1.055 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -57.24 -172.53 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.599 1.19 . . . . 0.0 110.19 172.131 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.521 ' HB2' ' OE2' ' A' ' 24' ' ' GLU . . . -59.31 -46.74 87.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 122.385 1.088 . . . . 0.0 110.455 170.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.838 ' HE2' ' HG ' ' A' ' 19' ' ' LEU . 4.2 mmmt -46.71 -72.87 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 178.082 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.513 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 58.0 m -58.77 -39.68 81.73 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 114.646 -1.161 . . . . 0.0 112.039 -169.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.591 HD13 ' C ' ' A' ' 32' ' ' LEU . 1.4 tm? -59.91 -38.37 82.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.219 1.009 . . . . 0.0 110.081 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -70.95 -28.66 64.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.387 -175.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.474 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 37.2 m-80 -115.04 6.36 15.2 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.292 -174.184 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 t30 48.36 82.06 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.201 1.001 . . . . 0.0 110.92 -171.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.611 ' CE3' HG21 ' A' ' 13' ' ' ILE . 27.6 m0 -126.88 174.36 8.87 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.728 0.775 . . . . 0.0 110.407 -175.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.13 70.11 1.19 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.973 0.892 . . . . 0.0 110.83 -179.316 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.0 t -48.51 95.82 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.548 1.166 . . . . 0.0 111.347 171.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.662 0 CA-C-O 123.54 1.638 . . . . 0.0 112.39 175.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.232 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.8 p -63.6 174.1 1.46 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 122.6 1.191 . . . . 0.0 112.764 -168.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.628 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 1.2 t70 -62.15 -45.86 91.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.315 178.137 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.554 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 1.9 mm -59.05 -28.82 39.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -172.395 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.7 m -77.18 -32.04 55.81 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.661 1.22 . . . . 0.0 110.146 177.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.628 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 2.6 mtp180 -50.1 -63.86 0.99 Allowed 'General case' 0 C--O 1.242 0.707 0 CA-C-O 123.587 1.661 . . . . 0.0 111.239 170.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.84 -49.66 60.97 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 120.321 -1.487 . . . . 0.0 110.894 -168.26 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 1.007 ' HB2' HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -75.02 -19.44 60.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.643 -174.23 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 mttm 59.89 71.99 0.55 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 123.702 1.715 . . . . 0.0 109.441 -171.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.007 HD22 ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -125.71 155.17 41.35 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.383 -1.281 . . . . 0.0 109.422 -175.823 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -79.55 134.98 36.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.87 0.843 . . . . 0.0 110.835 172.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.5 t -114.02 80.39 1.38 Allowed 'General case' 0 C--O 1.244 0.777 0 O-C-N 121.868 -0.52 . . . . 0.0 111.639 -171.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.637 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 11.0 p -38.63 -29.96 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 O-C-N 121.359 -0.838 . . . . 0.0 112.397 169.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.637 ' HB2' ' O ' ' A' ' 22' ' ' SER . 0.4 OUTLIER 88.34 7.43 0.16 Allowed 'General case' 0 C--O 1.254 1.31 0 C-N-CA 124.731 1.212 . . . . 0.0 114.064 167.792 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.89 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.3 pt-20 -46.88 154.23 0.35 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 122.638 1.209 . . . . 0.0 110.581 169.168 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 0.7 OUTLIER -138.38 150.89 68.06 Favored Pre-proline 0 C--O 1.243 0.76 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.028 -168.673 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.402 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 98.7 Cg_endo -65.64 -40.44 0.87 Allowed 'Cis proline' 0 N--CA 1.531 3.694 0 N-CA-C 115.719 1.392 . . . . 0.0 115.719 -3.332 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.55 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 6.8 mtmt -101.87 134.54 44.9 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 121.19 -0.943 . . . . 0.0 110.559 177.141 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.89 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -56.76 -173.76 0.01 OUTLIER 'General case' 0 C--O 1.241 0.63 0 CA-C-O 122.626 1.203 . . . . 0.0 110.175 172.196 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.535 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -64.73 -40.04 94.65 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 123.235 1.493 . . . . 0.0 110.113 170.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.736 ' HE2' ' CD2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -45.46 -72.67 0.05 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 114.665 1.358 . . . . 0.0 114.665 174.546 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.55 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 55.8 m -61.23 -38.77 87.82 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.777 -171.348 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.1 -40.31 76.76 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 122.115 0.96 . . . . 0.0 109.7 178.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 7.2 mtpm? -70.94 -27.54 63.83 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.987 -174.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.435 ' O ' ' CD1' ' A' ' 36' ' ' TRP . 45.8 m-20 -125.04 30.99 5.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.19 -176.359 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 35.93 68.09 0.26 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 124.776 2.227 . . . . 0.0 111.75 172.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.584 ' HZ3' ' HG3' ' A' ' 30' ' ' LYS . 15.8 m0 -115.88 179.04 4.1 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.75 -170.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -108.41 67.89 0.68 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.837 0.827 . . . . 0.0 111.544 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.415 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 17.4 t -45.33 97.03 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.493 1.14 . . . . 0.0 111.024 171.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.531 ' HB2' ' HB3' ' A' ' 12' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.716 0 CA-C-O 122.567 1.175 . . . . 0.0 112.284 -174.361 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.637 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.4 p -61.93 175.31 0.69 Allowed 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 120.957 1.708 . . . . 0.0 112.134 -168.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -57.28 -45.33 84.19 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.432 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.58 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.5 mm -61.78 -32.8 55.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -171.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.8 m -76.55 -32.5 58.23 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 122.286 1.041 . . . . 0.0 110.054 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.814 ' HG2' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -49.97 -63.19 1.19 Allowed 'General case' 0 C--O 1.244 0.779 0 CA-C-O 123.415 1.579 . . . . 0.0 111.13 171.274 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.814 ' N ' ' HG2' ' A' ' 15' ' ' ARG . 31.8 mt -66.44 -52.01 50.82 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 120.271 -1.518 . . . . 0.0 110.719 -168.1 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.581 ' HB2' HD22 ' A' ' 19' ' ' LEU . 5.6 mmtm -75.28 -17.41 60.3 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.544 -172.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp 61.35 72.04 0.53 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 123.816 1.77 . . . . 0.0 109.722 -172.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.862 HD23 ' CG ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -125.6 172.39 9.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.157 -172.705 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' H ' ' HG3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.25 151.64 22.51 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.946 172.195 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.9 t -136.09 78.08 1.69 Allowed 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.688 0.756 . . . . 0.0 112.951 -172.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.553 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 8.4 p -44.97 -19.57 0.03 OUTLIER 'General case' 0 C--O 1.249 1.04 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 169.513 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.553 ' HB2' ' O ' ' A' ' 22' ' ' SER . 0.6 OUTLIER 77.39 -2.61 2.57 Favored 'General case' 0 C--O 1.254 1.301 0 O-C-N 120.671 -1.268 . . . . 0.0 114.389 174.891 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 1.065 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 3.7 pt-20 -44.18 152.84 0.17 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 119.487 1.04 . . . . 0.0 110.331 170.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HE3' ' O ' ' A' ' 23' ' ' LYS . 3.3 mttt -137.03 155.17 76.33 Favored Pre-proline 0 C--O 1.244 0.768 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.023 -168.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.477 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 89.0 Cg_endo -64.98 -36.96 1.43 Allowed 'Cis proline' 0 N--CA 1.531 3.701 0 N-CA-C 115.842 1.439 . . . . 0.0 115.842 -3.115 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HG2' ' HG2' ' A' ' 26' ' ' PRO . 0.1 OUTLIER -104.82 137.45 42.58 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.435 -0.791 . . . . 0.0 110.782 174.161 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 1.065 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.9 p -56.45 -173.49 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.557 1.17 . . . . 0.0 110.787 171.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.637 ' HB2' ' OE2' ' A' ' 24' ' ' GLU . . . -60.08 -43.37 95.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 122.759 1.266 . . . . 0.0 109.646 170.06 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.862 ' CG ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -48.28 -69.89 0.11 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 179.717 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.472 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 69.9 m -61.39 -39.39 90.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.607 -172.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.565 HD22 ' O ' ' A' ' 32' ' ' LEU . 1.4 tm? -58.95 -36.2 74.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 122.31 1.052 . . . . 0.0 110.234 178.132 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.637 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 18.1 mmtt -70.85 -30.45 66.86 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.213 1.006 . . . . 0.0 111.075 -174.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.489 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 13.4 m-80 -116.43 7.46 13.83 Favored 'General case' 0 C--O 1.247 0.941 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.924 -174.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.4 t30 49.32 85.27 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.454 -0.779 . . . . 0.0 111.21 -171.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.58 ' CE3' HG21 ' A' ' 13' ' ' ILE . 25.0 m0 -130.34 177.12 7.57 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.918 0.866 . . . . 0.0 110.715 -173.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.47 65.6 0.68 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.718 0.771 . . . . 0.0 110.844 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.7 t -38.67 95.01 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.531 1.158 . . . . 0.0 111.919 171.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 . . . . . 0 C--N 1.321 -0.645 0 CA-C-O 122.172 0.986 . . . . 0.0 112.427 -172.123 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.452 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.405 ' CB ' ' SG ' ' A' ' 38' ' ' CYS . 9.3 p -63.33 177.2 0.67 Allowed 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 120.811 1.641 . . . . 0.0 112.399 -165.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.612 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -60.56 -47.02 88.04 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.821 0.82 . . . . 0.0 110.906 179.453 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.574 HG21 ' CE3' ' A' ' 36' ' ' TRP . 11.6 mm -62.12 -25.08 36.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.73 0.776 . . . . 0.0 112.572 -171.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.6 m -78.47 -33.57 48.2 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.765 1.269 . . . . 0.0 110.47 176.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.612 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 4.1 mtt-85 -51.41 -64.47 0.8 Allowed 'General case' 0 C--O 1.242 0.678 0 CA-C-O 123.11 1.433 . . . . 0.0 111.101 171.484 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.63 -47.65 69.01 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.988 1.375 . . . . 0.0 110.23 -168.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 1.101 ' HE2' ' CH2' ' A' ' 36' ' ' TRP . 8.4 mtpp -77.32 -19.97 55.6 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.892 -172.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HZ2' ' HG2' ' A' ' 18' ' ' LYS . 3.9 mttp 60.19 72.56 0.52 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 124.16 1.933 . . . . 0.0 108.95 -170.235 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.733 ' HG ' ' HE2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -123.54 154.59 39.0 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.551 -172.312 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.02 134.15 35.06 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.466 0.65 . . . . 0.0 110.347 171.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.549 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 3.2 t -112.37 84.99 2.07 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.157 0.503 . . . . 0.0 110.958 -171.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.648 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.3 p -38.13 -30.15 0.03 OUTLIER 'General case' 0 C--O 1.244 0.792 0 O-C-N 121.682 -0.636 . . . . 0.0 112.516 170.214 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.648 ' HB2' ' O ' ' A' ' 22' ' ' SER . 11.4 mttm 84.1 77.21 0.02 OUTLIER 'General case' 0 C--O 1.271 2.235 0 O-C-N 121.143 -0.973 . . . . 0.0 111.884 167.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 1.056 ' C ' ' HD3' ' A' ' 25' ' ' LYS . 1.1 pt-20 -139.49 158.84 43.44 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 118.2 -2.813 . . . . 0.0 110.125 -173.503 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 1.056 ' HD3' ' C ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -120.52 136.55 25.39 Favored Pre-proline 0 C--O 1.24 0.59 0 CA-C-O 121.761 0.791 . . . . 0.0 112.404 -167.692 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -66.97 -50.33 0.18 OUTLIER 'Cis proline' 0 N--CA 1.534 3.859 0 N-CA-C 115.914 1.467 . . . . 0.0 115.914 -3.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.923 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -101.97 145.32 29.43 Favored 'General case' 0 C--O 1.255 1.354 0 O-C-N 120.437 -1.414 . . . . 0.0 110.065 -172.266 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.967 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.4 p -55.11 -176.01 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 123.221 1.486 . . . . 0.0 109.295 170.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.503 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -56.76 -41.87 78.36 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 123.243 1.497 . . . . 0.0 109.848 168.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.733 ' HE2' ' HG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -49.38 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 178.576 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.923 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 59.9 m -59.05 -37.87 78.05 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.092 -171.366 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.408 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 7.1 tt -61.1 -39.16 88.89 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.079 0.942 . . . . 0.0 109.834 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -65.61 -31.52 72.6 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 123.233 1.492 . . . . 0.0 110.27 -177.759 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.522 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . 2.5 m120 -113.17 2.97 15.82 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-N 114.826 -1.079 . . . . 0.0 113.894 -169.271 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.4 t30 48.55 77.53 0.1 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.597 1.189 . . . . 0.0 110.381 -171.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 1.101 ' CH2' ' HE2' ' A' ' 17' ' ' LYS . 27.3 m0 -124.23 172.87 8.73 Favored 'General case' 0 C--O 1.245 0.818 0 C-N-CA 123.927 0.891 . . . . 0.0 110.273 -176.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -103.49 64.05 0.81 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.813 0.816 . . . . 0.0 110.592 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.518 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 15.6 t -42.59 95.95 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.939 0.875 . . . . 0.0 111.88 172.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.691 0 CA-C-O 124.455 2.074 . . . . 0.0 112.707 175.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.372 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.0 p -74.42 173.28 10.53 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 120.662 -1.274 . . . . 0.0 111.926 -170.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.474 ' HB2' ' HB3' ' A' ' 39' ' ' ARG . 1.3 t70 -70.11 -34.9 73.69 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 121.645 -0.659 . . . . 0.0 112.197 -178.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.602 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.3 mm -66.2 -31.53 54.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 O-C-N 121.593 -0.692 . . . . 0.0 112.76 -175.481 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.5 m -78.49 -33.08 48.42 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.67 1.224 . . . . 0.0 110.49 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.98 -63.6 1.08 Allowed 'General case' 0 C--O 1.242 0.669 0 CA-C-O 123.098 1.427 . . . . 0.0 111.115 171.011 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.6 mt -64.8 -52.96 54.03 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.752 1.263 . . . . 0.0 110.642 -169.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.736 ' HB2' HD22 ' A' ' 19' ' ' LEU . 6.7 mmmt -74.16 -19.89 60.41 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.366 -173.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp 58.97 71.93 0.56 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 123.907 1.813 . . . . 0.0 109.553 -171.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.763 ' CG ' ' HE2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -122.07 -177.6 3.63 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.22 -1.355 . . . . 0.0 110.603 -172.661 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.43 ' H ' ' HG2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.7 147.04 24.7 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.176 172.475 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.507 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 3.8 t -136.36 70.72 1.41 Allowed 'General case' 0 C--O 1.243 0.735 0 O-C-N 121.699 -0.626 . . . . 0.0 112.045 -175.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.645 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 5.4 p -39.28 -24.79 0.01 OUTLIER 'General case' 0 C--O 1.245 0.859 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 170.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.645 ' HB2' ' O ' ' A' ' 22' ' ' SER . 9.9 mttt 86.83 4.7 0.38 Allowed 'General case' 0 C--O 1.254 1.294 0 C-N-CA 124.544 1.138 . . . . 0.0 113.933 169.502 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 1.09 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.9 pt-20 -45.3 157.93 0.08 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 122.586 1.184 . . . . 0.0 111.307 170.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 11.2 mtmm -138.26 144.73 44.31 Favored Pre-proline 0 C--O 1.244 0.804 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.257 -169.325 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.401 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 95.1 Cg_endo -66.87 -47.08 0.27 Allowed 'Cis proline' 0 N--CA 1.531 3.714 0 N-CA-C 115.621 1.354 . . . . 0.0 115.621 -3.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.515 ' HD3' ' H ' ' A' ' 38' ' ' CYS . 7.1 mttp -95.1 131.89 40.6 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 120.654 -1.279 . . . . 0.0 110.137 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 1.09 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -55.79 -176.53 0.01 OUTLIER 'General case' 0 C--O 1.239 0.531 0 CA-C-O 122.803 1.287 . . . . 0.0 110.192 173.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.684 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -62.52 -40.79 97.9 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 123.151 1.453 . . . . 0.0 109.775 170.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.763 ' HE2' ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -45.29 -72.89 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 175.814 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.462 ' HA ' ' HB2' ' A' ' 36' ' ' TRP . 60.8 m -59.32 -43.05 92.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.485 -170.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.404 HD22 ' O ' ' A' ' 32' ' ' LEU . 2.1 tm? -59.93 -34.37 73.14 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 122.131 0.967 . . . . 0.0 109.799 -177.197 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.684 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 10.5 mttm -77.0 -26.53 53.96 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.056 0.931 . . . . 0.0 111.881 -174.161 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.462 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 7.0 m120 -112.81 8.06 18.66 Favored 'General case' 0 C--O 1.246 0.891 0 C-N-CA 123.067 0.547 . . . . 0.0 112.06 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 47.9 83.66 0.03 OUTLIER 'General case' 0 CA--C 1.506 -0.724 0 CA-C-O 122.41 1.1 . . . . 0.0 111.772 -171.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.602 ' CE3' HG21 ' A' ' 13' ' ' ILE . 32.5 m0 -128.68 176.0 8.14 Favored 'General case' 0 C--O 1.246 0.898 0 O-C-N 121.221 -0.925 . . . . 0.0 110.304 -177.21 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.34 65.78 0.64 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.063 0.935 . . . . 0.0 110.595 -177.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.515 ' H ' ' HD3' ' A' ' 27' ' ' LYS . 19.7 t -38.2 104.21 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.889 1.328 . . . . 0.0 111.835 174.092 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.474 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.584 0 CA-C-O 123.318 1.532 . . . . 0.0 112.191 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.132 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 39' ' ' ARG . 20.2 p -76.77 171.8 14.13 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 124.158 1.933 . . . . 0.0 114.222 -166.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.654 ' HB2' ' HB3' ' A' ' 39' ' ' ARG . 2.3 t70 -71.39 -36.04 71.27 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 114.574 -1.194 . . . . 0.0 112.179 -178.412 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.507 HG21 ' CE3' ' A' ' 36' ' ' TRP . 2.7 mm -59.33 -32.96 49.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 O-C-N 121.346 -0.846 . . . . 0.0 112.746 178.398 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.836 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 7.1 m -79.65 -36.62 37.55 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.146 0.498 . . . . 0.0 111.074 -173.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.65 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -54.89 -58.18 8.62 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-O 121.796 0.808 . . . . 0.0 111.802 170.888 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.26 -54.62 41.76 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-O 122.876 1.322 . . . . 0.0 110.184 -170.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.919 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -76.45 -20.9 56.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.04 -173.826 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.6 mttt 58.7 72.47 0.53 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 123.325 1.536 . . . . 0.0 109.284 -170.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.919 ' CD2' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -127.49 -179.49 4.94 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.134 -179.039 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -88.73 137.57 32.2 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 121.6 -0.688 . . . . 0.0 110.992 -174.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.836 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 20.8 t -143.0 77.14 1.56 Allowed 'General case' 0 C--O 1.249 1.071 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -172.328 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.63 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 5.9 p -43.44 -22.58 0.04 OUTLIER 'General case' 0 C--O 1.249 1.077 0 O-C-N 120.806 -1.184 . . . . 0.0 112.764 164.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 22' ' ' SER . 0.0 OUTLIER 68.81 30.23 4.84 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 122.951 1.358 . . . . 0.0 111.592 178.542 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.893 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.5 pt-20 -57.91 161.77 3.71 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 120.653 -1.28 . . . . 0.0 110.758 163.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 27.4 mtmt -135.32 154.26 78.55 Favored Pre-proline 0 C--O 1.243 0.728 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.235 -168.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.41 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 85.3 Cg_endo -65.19 -41.67 0.7 Allowed 'Cis proline' 0 N--CA 1.532 3.745 0 N-CA-C 115.436 1.283 . . . . 0.0 115.436 -3.449 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.937 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -106.33 145.08 32.11 Favored 'General case' 0 C--O 1.252 1.191 0 O-C-N 121.007 -1.058 . . . . 0.0 109.065 172.311 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.893 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.1 p -53.53 -178.29 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 123.068 1.413 . . . . 0.0 109.528 170.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.502 ' HB2' ' OE2' ' A' ' 24' ' ' GLU . . . -56.17 -43.72 78.63 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.454 1.121 . . . . 0.0 109.481 169.278 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.62 ' HD3' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -73.61 -36.9 65.56 Favored 'General case' 0 C--O 1.28 2.705 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -168.595 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.55 ' HB2' ' HB2' ' A' ' 27' ' ' LYS . 74.4 m -65.86 -39.47 90.75 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 122.765 2.53 . . . . 0.0 108.615 170.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.937 ' HB2' ' HD2' ' A' ' 27' ' ' LYS . 5.5 tt -56.22 -37.02 69.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.081 0.943 . . . . 0.0 110.287 177.386 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.98 -32.37 69.19 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.164 0.983 . . . . 0.0 110.692 -172.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.504 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 11.9 m-80 -112.02 3.91 17.74 Favored 'General case' 0 C--O 1.248 1.024 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.193 -173.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 52.87 82.65 0.07 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.387 1.089 . . . . 0.0 110.077 -171.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.507 ' CE3' HG21 ' A' ' 13' ' ' ILE . 22.6 m0 -127.06 173.09 9.95 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.816 0.817 . . . . 0.0 110.682 -175.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.22 60.99 0.72 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.367 0.604 . . . . 0.0 109.961 -177.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.43 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 23.8 t -39.45 105.89 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 123.316 1.531 . . . . 0.0 110.523 176.088 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.654 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 6.4 ttt180 . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.902 175.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.67 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 27.6 p -75.63 175.26 8.76 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 121.02 -1.05 . . . . 0.0 111.881 -170.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.767 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 3.4 t70 -60.22 -40.43 90.12 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.111 0.958 . . . . 0.0 110.945 176.272 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.583 HG21 ' CE3' ' A' ' 36' ' ' TRP . 2.0 mm -66.64 -29.88 47.91 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 O-C-N 121.611 -0.68 . . . . 0.0 112.624 -172.223 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.7 m -78.86 -34.19 45.23 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.367 1.08 . . . . 0.0 110.658 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.767 ' HG3' ' HA ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -50.85 -63.33 1.16 Allowed 'General case' 0 C--O 1.242 0.702 0 CA-C-O 123.168 1.461 . . . . 0.0 110.932 171.163 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.504 HD13 ' O ' ' A' ' 12' ' ' ASP . 4.0 mp -65.55 -50.56 64.72 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 120.712 -1.243 . . . . 0.0 110.578 -169.008 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.811 ' CB ' HD22 ' A' ' 19' ' ' LEU . 5.4 mmtm -76.63 -19.46 57.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.781 -173.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt 59.72 72.07 0.55 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 123.489 1.614 . . . . 0.0 109.489 -171.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.811 HD22 ' CB ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -122.94 178.28 5.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.547 -173.638 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -88.61 149.5 23.53 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.212 171.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 8.6 t -134.63 75.53 1.58 Allowed 'General case' 0 C--O 1.243 0.754 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -177.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.664 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 6.9 p -39.72 -22.65 0.01 OUTLIER 'General case' 0 C--O 1.245 0.855 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 170.238 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.664 ' HB2' ' O ' ' A' ' 22' ' ' SER . 19.7 mttt 86.43 0.56 0.6 Allowed 'General case' 0 C--O 1.251 1.182 0 C-N-CA 124.557 1.143 . . . . 0.0 113.452 170.402 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 1.047 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 4.3 pt-20 -46.22 159.29 0.08 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.917 1.341 . . . . 0.0 112.648 170.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 0.6 OUTLIER -138.61 149.35 62.18 Favored Pre-proline 0 C--O 1.244 0.791 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.81 -170.607 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.401 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 92.6 Cg_endo -65.64 -44.25 0.44 Allowed 'Cis proline' 0 N--CA 1.531 3.683 0 N-CA-C 115.527 1.318 . . . . 0.0 115.527 -3.362 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.488 ' HB2' ' HB2' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -96.07 140.21 31.12 Favored 'General case' 0 C--O 1.245 0.853 0 O-C-N 120.734 -1.229 . . . . 0.0 110.091 177.232 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 1.047 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 2.0 p -58.22 -173.71 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.52 1.152 . . . . 0.0 110.433 171.511 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.657 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -61.43 -40.74 95.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.742 1.258 . . . . 0.0 110.13 170.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.75 ' HE2' ' CD2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -48.13 -73.64 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 176.654 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.488 ' HB2' ' HB2' ' A' ' 27' ' ' LYS . 64.9 m -59.89 -38.22 81.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.36 -171.237 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -61.15 -37.97 84.75 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 122.04 0.924 . . . . 0.0 109.978 179.223 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.657 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 3.1 mttt -66.57 -30.54 70.86 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 123.229 1.49 . . . . 0.0 110.425 -178.401 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.535 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . 2.3 m120 -115.61 8.67 15.12 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 124.159 0.984 . . . . 0.0 113.389 -169.577 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 40.16 79.27 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 122.496 1.141 . . . . 0.0 111.433 -170.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.628 ' HZ3' ' HG3' ' A' ' 30' ' ' LYS . 21.0 m0 -122.49 177.31 5.47 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 124.108 0.963 . . . . 0.0 110.458 -173.67 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.67 63.22 0.72 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.207 1.003 . . . . 0.0 111.037 -178.5 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.427 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 10.2 t -45.17 108.2 0.12 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 123.056 1.407 . . . . 0.0 112.067 174.269 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.498 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--N 1.32 -0.678 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.436 167.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 120.66 0.267 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 39' ' ' ARG . 23.0 p -74.55 170.95 14.71 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 122.592 1.187 . . . . 0.0 112.496 -171.309 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -61.24 -53.08 61.34 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.182 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.735 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 1.4 mm -53.01 -28.76 14.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -172.317 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.511 ' SG ' HD12 ' A' ' 19' ' ' LEU . 5.5 m -79.36 -36.94 38.53 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.653 0.74 . . . . 0.0 110.883 -179.56 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.85 -64.05 0.94 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 123.468 1.604 . . . . 0.0 111.723 172.282 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mp -68.9 -46.37 68.52 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 120.356 -1.465 . . . . 0.0 110.424 -169.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 1.011 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 4.4 mttt -76.31 -16.94 59.66 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.506 -173.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 57.16 71.82 0.55 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 123.436 1.589 . . . . 0.0 110.172 -175.168 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.011 ' CD2' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -133.66 -179.1 5.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.973 -179.569 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HE2' ' HB3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.77 150.2 23.06 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.964 178.043 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.763 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 5.8 t -132.58 71.76 1.48 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.274 0.559 . . . . 0.0 112.234 -177.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.613 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.2 p -39.57 -23.38 0.01 OUTLIER 'General case' 0 C--O 1.246 0.901 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 169.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.763 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 18.6 mttt 87.72 2.45 0.38 Allowed 'General case' 0 C--O 1.252 1.191 0 C-N-CA 124.616 1.166 . . . . 0.0 113.76 168.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.975 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.5 pt-20 -45.57 157.74 0.09 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 122.663 1.221 . . . . 0.0 111.908 170.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -138.97 155.24 73.02 Favored Pre-proline 0 C--O 1.247 0.953 0 CA-C-N 115.08 -0.963 . . . . 0.0 111.396 -171.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.798 ' HG2' ' HD3' ' A' ' 27' ' ' LYS . 91.8 Cg_endo -65.0 -38.83 1.05 Allowed 'Cis proline' 0 N--CA 1.529 3.593 0 N-CA-C 115.968 1.488 . . . . 0.0 115.968 -3.206 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.798 ' HD3' ' HG2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -101.78 141.23 34.96 Favored 'General case' 0 C--O 1.25 1.104 0 O-C-N 121.391 -0.818 . . . . 0.0 110.102 172.581 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.975 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -55.84 -176.96 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.689 1.233 . . . . 0.0 110.104 171.405 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.744 ' O ' ' HG2' ' A' ' 33' ' ' LYS . . . -62.62 -39.78 94.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 123.408 1.575 . . . . 0.0 109.739 170.667 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.875 ' CG ' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -44.66 -72.95 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 174.739 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.465 ' HA ' ' HB2' ' A' ' 36' ' ' TRP . 61.9 m -59.1 -43.48 91.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.778 0.799 . . . . 0.0 110.442 -170.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -60.11 -33.33 71.98 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.077 0.942 . . . . 0.0 110.018 -176.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.744 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 1.2 mmtt -76.92 -28.13 55.16 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.138 0.97 . . . . 0.0 111.856 -175.061 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.458 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 13.4 m-80 -111.64 11.02 21.11 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.734 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 43.81 83.07 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.407 1.099 . . . . 0.0 111.274 -172.203 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.569 ' CE3' HG21 ' A' ' 13' ' ' ILE . 27.9 m0 -125.29 174.61 8.01 Favored 'General case' 0 C--O 1.248 0.998 0 O-C-N 121.173 -0.955 . . . . 0.0 110.033 -176.281 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -107.57 63.75 0.63 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 122.277 1.036 . . . . 0.0 110.511 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.8 t -37.44 110.71 0.13 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.793 1.282 . . . . 0.0 111.264 172.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.48 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 115.195 -0.912 . . . . 0.0 109.911 170.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.5 p -72.82 172.31 11.05 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 122.698 1.237 . . . . 0.0 112.733 -170.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.774 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 6.6 t0 -68.68 -41.26 79.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.499 -178.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.539 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.8 mm -59.73 -29.18 42.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -177.157 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.7 m -77.86 -33.16 52.27 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.939 1.352 . . . . 0.0 110.111 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.774 ' HG3' ' HA ' ' A' ' 12' ' ' ASP . 21.0 mtp180 -50.39 -63.84 1.0 Allowed 'General case' 0 C--O 1.242 0.68 0 CA-C-O 123.265 1.507 . . . . 0.0 111.091 170.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 12' ' ' ASP . 2.9 mp -65.21 -52.41 54.92 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 120.685 -1.259 . . . . 0.0 110.776 -168.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.78 ' HB2' HD22 ' A' ' 19' ' ' LEU . 5.1 mptt -75.71 -18.75 59.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.472 -173.383 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.0 mttp 59.02 74.22 0.45 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 123.892 1.806 . . . . 0.0 109.208 -171.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.78 HD22 ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -121.29 165.8 14.95 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.187 -1.369 . . . . 0.0 109.804 -178.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.758 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -87.58 135.61 33.28 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.568 0.699 . . . . 0.0 110.629 172.013 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.1 t -118.36 79.42 1.38 Allowed 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.844 -0.535 . . . . 0.0 112.392 -170.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.614 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 10.1 p -39.45 -29.71 0.05 Allowed 'General case' 0 C--O 1.243 0.74 0 O-C-N 121.425 -0.797 . . . . 0.0 112.882 168.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.614 ' HB2' ' O ' ' A' ' 22' ' ' SER . 2.9 mttp 87.88 7.9 0.18 Allowed 'General case' 0 C--O 1.255 1.384 0 C-N-CA 124.647 1.179 . . . . 0.0 113.717 169.36 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 1.014 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.5 pt-20 -46.35 156.37 0.17 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 122.783 1.277 . . . . 0.0 110.618 169.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.419 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 4.2 mttt -137.81 147.81 58.31 Favored Pre-proline 0 C--O 1.244 0.765 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.154 -168.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.419 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 97.5 Cg_endo -65.98 -42.21 0.67 Allowed 'Cis proline' 0 N--CA 1.531 3.705 0 N-CA-C 115.726 1.395 . . . . 0.0 115.726 -3.352 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.545 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -103.11 133.05 48.87 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 120.926 -1.109 . . . . 0.0 110.38 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 1.014 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -55.9 -175.49 0.01 OUTLIER 'General case' 0 C--O 1.241 0.639 0 CA-C-O 122.682 1.229 . . . . 0.0 110.205 173.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' A' ' 33' ' ' LYS . . . -58.2 -43.88 87.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.735 1.255 . . . . 0.0 109.873 170.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.53 ' HG3' ' HZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -53.1 -68.29 0.18 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 -178.162 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 55.5 m -57.22 -37.63 72.54 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.782 -0.574 . . . . 0.0 110.454 -175.054 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -59.73 -39.2 83.89 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 122.131 0.967 . . . . 0.0 110.192 179.117 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 29.9 mmtt -68.1 -31.47 71.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 123.16 1.457 . . . . 0.0 110.835 -177.091 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.546 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . 2.7 m120 -110.28 2.04 18.95 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-N 114.981 -1.008 . . . . 0.0 112.615 -170.385 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.1 t30 47.98 78.32 0.08 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.607 1.194 . . . . 0.0 110.82 -171.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.546 ' CD2' ' HB2' ' A' ' 34' ' ' ASN . 18.0 m0 -126.0 178.22 5.88 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 123.695 0.798 . . . . 0.0 110.752 -172.196 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.635 ' HG2' ' HD3' ' A' ' 39' ' ' ARG . 6.1 tt0 -107.1 64.75 0.64 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.075 0.94 . . . . 0.0 111.59 -178.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.2 t -45.99 98.31 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.202 1.001 . . . . 0.0 111.435 172.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.635 ' HD3' ' HG2' ' A' ' 37' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.698 0 CA-C-O 122.842 1.306 . . . . 0.0 113.635 178.001 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.263 1.786 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 20.5 p -65.22 159.26 24.08 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 123.235 1.493 . . . . 0.0 113.124 -167.094 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' A' ' 16' ' ' LEU . 11.7 t70 -60.28 -32.08 70.85 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.401 -177.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.791 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -70.27 -33.21 53.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.451 0.643 . . . . 0.0 112.67 -176.459 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.595 ' HA ' HD12 ' A' ' 19' ' ' LEU . 2.5 m -82.68 -38.23 23.72 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.855 0.836 . . . . 0.0 111.453 -172.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -67.79 -59.01 3.65 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 172.112 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.498 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -48.11 -56.42 7.85 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 120.962 -1.086 . . . . 0.0 110.282 174.185 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.791 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 10.7 mmtt -78.02 -10.47 59.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.32 -176.133 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 mttm 58.21 29.07 17.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 123.98 1.848 . . . . 0.0 112.23 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.738 ' CD2' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -96.72 174.46 6.8 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.191 -1.368 . . . . 0.0 111.029 174.138 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mtmm -89.01 147.29 24.36 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.323 -172.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.488 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 8.5 t -124.6 94.76 4.29 Favored 'General case' 0 C--O 1.244 0.8 0 O-C-N 121.525 -0.734 . . . . 0.0 112.823 -171.471 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.2 p -49.99 -17.53 0.41 Allowed 'General case' 0 C--O 1.25 1.115 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 167.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 21' ' ' CYS . 0.9 OUTLIER 63.83 -4.39 0.36 Allowed 'General case' 0 C--O 1.263 1.814 0 N-CA-C 118.061 2.615 . . . . 0.0 118.061 -178.481 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 1.074 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.6 pt-20 -43.51 160.79 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 121.481 1.946 . . . . 0.0 110.73 170.315 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 1.9 mtpm? -136.08 149.98 69.87 Favored Pre-proline 0 C--O 1.242 0.68 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.424 -168.489 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.412 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 95.7 Cg_endo -66.36 -43.27 0.56 Allowed 'Cis proline' 0 N--CA 1.532 3.782 0 N-CA-C 115.754 1.405 . . . . 0.0 115.754 -3.411 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HA ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -100.25 139.04 36.49 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 120.981 -1.074 . . . . 0.0 109.53 175.547 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 1.074 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.5 p -53.88 179.53 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.798 1.285 . . . . 0.0 109.848 171.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.428 ' N ' ' CD ' ' A' ' 24' ' ' GLU . . . -51.23 -46.36 62.24 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.963 1.363 . . . . 0.0 109.555 171.224 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.586 ' HG2' ' HZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -69.62 -50.11 47.41 Favored 'General case' 0 C--O 1.266 1.948 0 N-CA-C 116.542 2.053 . . . . 0.0 116.542 -169.731 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.454 ' HA ' ' HB2' ' A' ' 36' ' ' TRP . 67.9 m -57.91 -38.88 76.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 120.321 1.419 . . . . 0.0 108.981 179.025 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.499 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.7 tm? -62.02 -36.53 81.84 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.424 0.631 . . . . 0.0 110.599 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -70.46 -29.71 66.33 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 123.294 1.521 . . . . 0.0 111.313 -178.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.493 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . 28.1 m120 -107.87 -1.32 20.87 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 124.696 1.198 . . . . 0.0 112.021 -172.213 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 48.29 78.19 0.09 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 122.905 1.336 . . . . 0.0 110.846 -170.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.586 ' HZ3' ' HG2' ' A' ' 30' ' ' LYS . 15.8 m0 -123.02 178.22 5.17 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 124.281 1.032 . . . . 0.0 110.423 -172.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.74 63.95 0.62 Allowed 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.174 -0.953 . . . . 0.0 111.45 -177.277 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.423 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 20.1 t -50.19 96.71 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.494 1.14 . . . . 0.0 111.731 175.268 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.321 -0.671 0 CA-C-O 123.325 1.536 . . . . 0.0 114.112 173.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.168 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.4 p -53.42 170.81 0.09 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 122.739 1.257 . . . . 0.0 112.007 -178.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -73.59 -29.07 62.17 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.929 -174.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.792 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 17.6 mm -74.19 -22.37 18.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.0 m -78.82 -37.04 41.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.179 0.99 . . . . 0.0 110.57 176.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.514 ' HG2' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -54.26 -61.86 2.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 123.148 1.451 . . . . 0.0 112.158 170.523 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.663 HD23 ' HA ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -68.64 -43.1 77.01 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 120.502 -1.374 . . . . 0.0 110.381 -169.538 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.898 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -77.92 -24.32 48.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.995 -176.665 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.735 ' C ' HD13 ' A' ' 19' ' ' LEU . 22.6 mtmm 59.1 73.31 0.49 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 123.546 1.641 . . . . 0.0 110.729 -170.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.898 ' CD2' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -127.54 -175.74 3.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 122.678 1.228 . . . . 0.0 109.78 172.662 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.9 153.73 20.41 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.861 170.199 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.659 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 2.0 t -126.07 80.26 1.9 Allowed 'General case' 0 C--N 1.32 -0.676 0 O-C-N 121.766 -0.584 . . . . 0.0 112.047 -178.481 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.62 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 4.9 p -39.94 -35.01 0.32 Allowed 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.508 -0.745 . . . . 0.0 112.65 170.204 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.659 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 10.1 mttt 84.64 76.64 0.02 OUTLIER 'General case' 0 C--O 1.269 2.114 0 C-N-CA 124.054 0.942 . . . . 0.0 111.065 169.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.958 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.6 pt-20 -132.25 167.63 19.5 Favored 'General case' 0 C--N 1.315 -0.893 0 O-C-N 118.196 -2.815 . . . . 0.0 109.438 -174.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 1.1 mttp -126.35 139.7 35.26 Favored Pre-proline 0 CA--C 1.509 -0.619 0 O-C-N 121.225 -0.922 . . . . 0.0 112.735 -168.322 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.61 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 87.0 Cg_endo -66.7 -47.86 0.25 Allowed 'Cis proline' 0 N--CA 1.535 3.946 0 N-CA-C 116.106 1.541 . . . . 0.0 116.106 -2.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.628 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -104.28 151.18 23.72 Favored 'General case' 0 C--O 1.255 1.359 0 O-C-N 120.672 -1.267 . . . . 0.0 109.748 -176.906 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.958 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -54.01 -175.57 0.01 OUTLIER 'General case' 0 C--O 1.248 0.978 0 CA-C-O 123.08 1.419 . . . . 0.0 109.148 169.365 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.674 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -59.02 -41.93 88.96 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 123.354 1.549 . . . . 0.0 109.658 168.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.851 ' HE2' ' HG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -48.49 -72.26 0.05 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 178.426 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.628 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 56.3 m -60.94 -39.36 89.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.47 -171.039 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.46 HD12 ' HG3' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -56.36 -40.94 75.34 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.24 1.019 . . . . 0.0 109.618 178.422 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.674 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 6.0 mttm -70.6 -30.21 66.82 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.357 1.075 . . . . 0.0 110.985 -174.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.478 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 4.6 m-20 -119.41 26.15 9.61 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.055 -174.583 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 40.02 66.84 0.54 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 125.306 2.479 . . . . 0.0 111.811 174.087 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.57 ' CE3' HG21 ' A' ' 13' ' ' ILE . 25.1 m0 -119.16 173.28 7.02 Favored 'General case' 0 C--O 1.248 0.994 0 O-C-N 120.438 -1.414 . . . . 0.0 110.228 -171.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.69 65.98 0.65 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.039 0.924 . . . . 0.0 110.783 -175.232 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.43 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 10.8 t -40.69 99.19 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.834 1.302 . . . . 0.0 111.375 172.182 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 39' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 124.543 2.116 . . . . 0.0 112.21 175.356 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.528 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.0 p -71.65 173.92 7.44 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 120.937 1.699 . . . . 0.0 110.916 -171.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.535 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 8.0 t70 -65.73 -48.39 72.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.534 0.683 . . . . 0.0 110.596 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.485 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.5 mm -49.23 -35.25 7.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -177.387 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.4 m -76.54 -35.71 58.09 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.282 1.039 . . . . 0.0 109.669 -177.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.684 ' CD ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -49.79 -59.9 3.39 Favored 'General case' 0 C--O 1.246 0.891 0 CA-C-O 122.974 1.369 . . . . 0.0 111.789 172.041 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.684 HD12 ' CD ' ' A' ' 15' ' ' ARG . 8.6 mp -68.08 -48.44 65.53 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 120.183 -1.573 . . . . 0.0 110.584 -167.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 1.011 ' HB2' HD22 ' A' ' 19' ' ' LEU . 13.7 mmmt -77.0 -17.9 58.56 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.691 -172.56 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.403 ' C ' HD13 ' A' ' 19' ' ' LEU . 22.6 mtmt 63.51 75.08 0.4 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 123.977 1.846 . . . . 0.0 109.281 -171.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.023 HD21 ' HE2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -129.75 168.89 15.84 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.161 -1.382 . . . . 0.0 110.121 -174.763 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 15.5 mtmt -89.14 156.86 18.54 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.478 169.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.4 t -140.35 78.44 1.66 Allowed 'General case' 0 C--O 1.246 0.879 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -173.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.6 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 6.3 p -39.17 -25.95 0.02 OUTLIER 'General case' 0 C--O 1.246 0.881 0 O-C-N 121.241 -0.912 . . . . 0.0 113.235 168.439 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.6 ' HB2' ' O ' ' A' ' 22' ' ' SER . 2.1 mttp 83.93 4.69 0.76 Allowed 'General case' 0 C--O 1.252 1.196 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 169.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 1.053 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.2 pt-20 -46.65 159.59 0.09 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.718 1.247 . . . . 0.0 111.612 171.045 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.418 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 5.7 mtpt -138.25 154.06 73.56 Favored Pre-proline 0 C--O 1.245 0.831 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.762 -170.455 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.465 ' HG2' ' HG3' ' A' ' 27' ' ' LYS . 81.6 Cg_endo -64.21 -41.04 0.7 Allowed 'Cis proline' 0 N--CA 1.529 3.608 0 N-CA-C 115.536 1.322 . . . . 0.0 115.536 -3.24 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.616 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -105.05 139.35 39.86 Favored 'General case' 0 C--O 1.246 0.878 0 O-C-N 121.082 -1.011 . . . . 0.0 110.203 174.394 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 1.053 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.7 p -54.28 -177.37 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.834 1.302 . . . . 0.0 109.891 171.132 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -52.56 -46.98 67.06 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.872 1.32 . . . . 0.0 109.678 170.684 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 1.023 ' HE2' HD21 ' A' ' 19' ' ' LEU . 9.0 tttt -68.75 -50.45 50.46 Favored 'General case' 0 C--O 1.262 1.747 0 N-CA-C 116.85 2.167 . . . . 0.0 116.85 -169.17 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.616 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 62.3 m -58.81 -38.35 78.44 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 120.331 -1.481 . . . . 0.0 109.02 177.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.728 HD23 ' O ' ' A' ' 32' ' ' LEU . 1.9 tt -60.47 -37.11 79.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.152 0.977 . . . . 0.0 110.304 177.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 18.3 mttp -70.33 -30.41 67.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.486 1.136 . . . . 0.0 111.362 -175.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.469 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 30.6 m-80 -114.86 7.7 15.78 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.922 -173.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 45.29 84.58 0.02 OUTLIER 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 122.117 0.96 . . . . 0.0 111.995 -171.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.582 ' CZ3' ' HG2' ' A' ' 30' ' ' LYS . 18.6 m0 -128.68 177.34 7.12 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.208 -0.933 . . . . 0.0 110.697 -171.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -106.94 64.16 0.64 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.18 0.99 . . . . 0.0 110.917 -179.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 20.5 t -43.46 94.83 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.511 1.148 . . . . 0.0 112.018 172.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.321 -0.643 0 CA-C-O 123.597 1.665 . . . . 0.0 113.068 -175.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.344 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 26.4 p -72.68 173.73 8.6 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 122.87 1.319 . . . . 0.0 113.425 -169.259 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.786 ' HB3' ' HB3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -57.88 -59.37 5.34 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.067 174.353 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.88 HG23 ' HD2' ' A' ' 17' ' ' LYS . 1.8 mm -51.4 -31.64 12.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -171.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.0 m -79.02 -33.46 44.86 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.734 1.254 . . . . 0.0 110.555 -177.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.763 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 50.2 mtp85 -51.61 -62.16 1.8 Allowed 'General case' 0 C--O 1.242 0.706 0 CA-C-O 123.037 1.399 . . . . 0.0 111.647 170.5 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.0 -50.78 64.95 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 120.608 -1.308 . . . . 0.0 110.499 -169.18 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 1.002 ' HD3' ' CD2' ' A' ' 19' ' ' LEU . 4.0 mtpp -77.0 -20.89 55.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.008 0.908 . . . . 0.0 111.911 -174.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.419 ' HE3' ' HB2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER 57.69 72.21 0.53 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 124.441 2.067 . . . . 0.0 108.949 -169.687 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.002 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -120.29 -176.86 3.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 113.692 -1.594 . . . . 0.0 110.563 -172.129 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -88.8 143.6 26.79 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.34 0.591 . . . . 0.0 111.39 173.351 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.48 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 7.7 t -134.56 77.88 1.72 Allowed 'General case' 0 C--O 1.242 0.676 0 O-C-N 121.717 -0.614 . . . . 0.0 112.507 -178.16 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.681 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 3.9 p -40.01 -29.47 0.07 Allowed 'General case' 0 C--O 1.246 0.885 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 170.692 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.681 ' HB2' ' O ' ' A' ' 22' ' ' SER . 35.8 mttt 86.31 79.11 0.02 OUTLIER 'General case' 0 C--O 1.273 2.334 0 C-N-CA 124.287 1.035 . . . . 0.0 111.33 170.213 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 1.009 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -141.34 167.65 21.66 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 118.05 -2.906 . . . . 0.0 110.199 -173.256 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -127.82 138.49 33.02 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-O 121.82 0.819 . . . . 0.0 112.159 -169.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -67.31 -47.97 0.25 Allowed 'Cis proline' 0 N--CA 1.536 3.99 0 N-CA-C 116.481 1.685 . . . . 0.0 116.481 -3.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.728 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -103.8 146.43 28.65 Favored 'General case' 0 C--O 1.252 1.209 0 O-C-N 120.675 -1.266 . . . . 0.0 109.647 -176.449 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 1.009 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.2 p -52.12 179.78 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 123.047 1.403 . . . . 0.0 109.356 170.256 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.06 -44.66 71.27 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 123.298 1.523 . . . . 0.0 109.344 169.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.903 ' HE2' ' HG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -67.84 -45.97 73.13 Favored 'General case' 0 C--O 1.27 2.142 0 N-CA-C 115.961 1.838 . . . . 0.0 115.961 -169.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.728 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 72.3 m -65.33 -38.06 88.99 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 120.146 -1.596 . . . . 0.0 108.51 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -38.01 73.22 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.324 1.059 . . . . 0.0 110.375 175.189 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -71.85 -27.78 63.11 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.251 -173.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.483 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 14.3 m-80 -118.88 9.14 11.88 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.291 -175.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.4 t30 47.17 83.83 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 122.092 0.949 . . . . 0.0 111.085 -171.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.637 ' CH2' ' HE2' ' A' ' 17' ' ' LYS . 22.5 m0 -127.3 172.22 10.8 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.758 0.79 . . . . 0.0 110.343 -174.18 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 29.7 tt0 -102.21 58.83 0.82 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.969 0.89 . . . . 0.0 111.044 -172.224 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.2 t -47.46 111.18 0.38 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 123.342 1.544 . . . . 0.0 111.863 -177.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.786 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--O 1.245 0.838 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.579 168.399 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.263 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.8 p -78.01 177.11 8.55 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 120.694 -1.254 . . . . 0.0 111.249 -174.117 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -58.95 -39.31 81.28 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.577 0.703 . . . . 0.0 111.056 177.827 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.498 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.0 OUTLIER -65.8 -36.86 78.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -173.828 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.617 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 10.9 m -79.57 -35.71 39.35 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.36 1.076 . . . . 0.0 110.565 -174.324 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.977 ' CG ' HD23 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -52.17 -61.8 2.04 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 122.706 1.241 . . . . 0.0 111.313 170.497 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.977 HD23 ' CG ' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -62.14 -54.23 44.04 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.914 1.34 . . . . 0.0 110.338 -169.521 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.954 ' HB3' HD21 ' A' ' 19' ' ' LEU . 5.4 mmmt -77.9 -19.5 54.61 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.803 -172.128 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt 60.5 75.05 0.42 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 123.201 1.477 . . . . 0.0 109.487 -171.028 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.954 HD21 ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -131.61 -178.13 4.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.365 179.835 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -88.66 147.32 24.59 Favored 'General case' 0 C--O 1.243 0.726 0 O-C-N 121.649 -0.657 . . . . 0.0 111.372 -178.006 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.617 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 43.4 t -145.11 87.11 1.8 Allowed 'General case' 0 C--O 1.243 0.734 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -171.92 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.554 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 39.8 p -67.59 5.19 0.86 Allowed 'General case' 0 C--O 1.253 1.288 0 N-CA-C 116.491 2.034 . . . . 0.0 116.491 171.776 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' A' ' 22' ' ' SER . 0.0 OUTLIER 73.0 -8.17 1.34 Allowed 'General case' 0 C--O 1.257 1.457 0 N-CA-C 116.955 2.206 . . . . 0.0 116.955 169.966 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.98 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 3.0 pt-20 -41.4 153.41 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 123.378 1.561 . . . . 0.0 111.017 172.376 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 4.4 mttt -133.22 151.58 77.94 Favored Pre-proline 0 C--O 1.244 0.786 0 CA-C-N 114.661 -1.154 . . . . 0.0 112.151 -168.727 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.718 ' HG2' ' HE2' ' A' ' 27' ' ' LYS . 87.8 Cg_endo -64.6 -42.0 0.63 Allowed 'Cis proline' 0 N--CA 1.53 3.621 0 N-CA-C 115.144 1.171 . . . . 0.0 115.144 -3.426 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.718 ' HE2' ' HG2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -102.92 140.84 36.68 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.213 -0.929 . . . . 0.0 110.562 175.496 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.98 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -55.78 -175.43 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 122.639 1.209 . . . . 0.0 110.598 172.334 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.719 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -60.83 -40.21 91.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 123.168 1.461 . . . . 0.0 109.894 170.874 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.496 ' HG3' ' HZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -46.49 -72.93 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 114.644 1.349 . . . . 0.0 114.644 175.224 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.478 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 61.3 m -60.42 -40.26 90.36 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.806 -171.631 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 tt -56.6 -40.1 74.7 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.146 0.974 . . . . 0.0 109.571 179.313 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.719 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 25.9 mttp -71.27 -27.48 63.47 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.994 -174.395 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.408 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 29.9 m-80 -123.99 29.08 6.58 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -176.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 43.18 60.78 2.41 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 125.091 2.377 . . . . 0.0 113.414 171.338 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.498 ' CE3' HG21 ' A' ' 13' ' ' ILE . 25.6 m0 -114.75 172.0 7.3 Favored 'General case' 0 C--O 1.242 0.699 0 O-C-N 120.016 -1.677 . . . . 0.0 110.432 -169.856 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -105.95 62.17 0.66 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.593 0.711 . . . . 0.0 110.787 -174.669 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.4 t -43.61 97.56 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.31 1.052 . . . . 0.0 112.074 174.35 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 . . . . . 0 C--N 1.32 -0.686 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.789 171.901 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -77.2 175.04 10.05 Favored 'General case' 0 C--N 1.317 -0.829 0 O-C-N 120.953 -1.092 . . . . 0.0 111.292 -171.394 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -42.4 97.57 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.599 0.714 . . . . 0.0 110.758 177.405 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.503 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.3 mm -60.16 -34.23 56.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -173.134 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.421 ' HA ' HD22 ' A' ' 19' ' ' LEU . 99.1 m -78.85 -30.25 45.04 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 122.545 1.164 . . . . 0.0 110.485 -178.347 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.851 ' HG2' HD22 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -53.31 -59.45 4.55 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-O 122.326 1.06 . . . . 0.0 111.722 170.322 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.851 HD22 ' HG2' ' A' ' 15' ' ' ARG . 2.6 mm? -67.66 -51.99 43.29 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 120.612 -1.305 . . . . 0.0 110.903 -170.561 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.494 ' HE3' ' CZ2' ' A' ' 36' ' ' TRP . 10.3 mttt -70.12 -17.87 63.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.315 -177.903 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt 67.4 45.61 1.56 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 123.204 1.478 . . . . 0.0 113.312 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.679 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -98.67 -174.61 2.84 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.647 1.213 . . . . 0.0 109.96 170.354 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.516 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.1 OUTLIER -87.86 -151.96 0.2 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.039 170.303 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.739 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 6.2 t -174.31 89.92 0.06 Allowed 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 121.693 0.758 . . . . 0.0 113.029 170.674 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.431 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.6 p -43.5 -34.97 1.49 Allowed 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.246 -0.909 . . . . 0.0 113.245 168.617 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.739 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 9.1 mttt 88.54 12.02 0.09 Allowed 'General case' 0 C--O 1.256 1.446 0 C-N-CA 124.574 1.15 . . . . 0.0 113.459 170.91 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.865 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.5 pt-20 -46.71 150.61 0.68 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 119.639 1.108 . . . . 0.0 109.86 167.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.415 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 13.7 mttp -133.0 151.27 77.65 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-O 121.899 0.857 . . . . 0.0 112.48 -166.221 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.415 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 94.4 Cg_endo -65.82 -43.05 0.56 Allowed 'Cis proline' 0 N--CA 1.532 3.774 0 N-CA-C 115.698 1.384 . . . . 0.0 115.698 -3.478 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.66 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 11.8 mtmt -99.64 137.05 38.66 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 120.907 -1.121 . . . . 0.0 109.635 175.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.865 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -53.54 -179.64 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.887 1.327 . . . . 0.0 109.786 171.712 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -51.6 -46.26 63.49 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 123.02 1.39 . . . . 0.0 109.715 170.568 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.589 ' HG2' ' HZ3' ' A' ' 36' ' ' TRP . 2.4 tttp -67.84 -52.54 35.66 Favored 'General case' 0 C--O 1.262 1.726 0 N-CA-C 116.571 2.063 . . . . 0.0 116.571 -169.372 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.66 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 60.1 m -56.97 -41.12 77.78 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 120.385 -1.447 . . . . 0.0 108.986 177.913 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.562 ' O ' HD13 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -60.75 -36.06 77.96 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 122.147 0.975 . . . . 0.0 109.866 -178.99 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 9.5 mttp -73.8 -28.92 61.89 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.548 1.166 . . . . 0.0 111.814 -174.349 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.461 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 32.2 m-20 -111.72 4.33 18.43 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 123.676 0.79 . . . . 0.0 111.742 -175.902 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 51.16 83.5 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.204 1.002 . . . . 0.0 110.565 -173.064 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.589 ' HZ3' ' HG2' ' A' ' 30' ' ' LYS . 25.1 m0 -129.46 177.47 7.17 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.769 0.795 . . . . 0.0 110.566 -174.344 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.55 65.34 0.64 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.85 0.833 . . . . 0.0 111.264 -179.76 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.414 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 16.0 t -45.07 97.11 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.787 0.803 . . . . 0.0 111.151 171.684 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.529 0 CA-C-O 122.288 1.042 . . . . 0.0 113.677 175.43 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.557 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.3 p -77.66 174.55 10.81 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 120.931 1.696 . . . . 0.0 111.797 -169.875 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.762 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 0.9 OUTLIER -61.94 -30.8 71.15 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.354 -0.841 . . . . 0.0 112.179 177.868 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.615 HG22 HD11 ' A' ' 19' ' ' LEU . 8.5 mm -76.1 -30.9 20.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -172.139 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.632 ' SG ' HD12 ' A' ' 19' ' ' LEU . 2.6 m -80.02 -39.29 30.24 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.422 -0.799 . . . . 0.0 110.578 -178.229 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.762 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 2.0 ptm180 -54.11 -59.08 5.13 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-O 122.515 1.15 . . . . 0.0 111.45 170.481 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.499 ' HG ' ' N ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -63.0 -52.43 63.01 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 120.279 -1.513 . . . . 0.0 109.998 -169.268 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.766 ' CB ' HD21 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -78.9 -20.44 49.4 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.079 -172.348 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt 61.04 75.36 0.41 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 123.445 1.593 . . . . 0.0 109.482 -170.295 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.065 HD13 ' HG2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -130.28 -176.91 4.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.66 -1.154 . . . . 0.0 110.307 177.543 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.522 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 1.2 ptmt -88.57 141.69 28.32 Favored 'General case' 0 C--O 1.244 0.795 0 O-C-N 121.766 -0.584 . . . . 0.0 111.21 178.509 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.518 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 7.0 t -134.78 65.87 1.55 Allowed 'General case' 0 C--O 1.242 0.674 0 CA-C-O 122.124 0.964 . . . . 0.0 112.78 -173.842 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.641 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -44.51 -12.18 0.01 OUTLIER 'General case' 0 C--O 1.253 1.266 0 O-C-N 121.087 -1.008 . . . . 0.0 113.254 168.079 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.641 ' HB2' ' O ' ' A' ' 22' ' ' SER . 20.1 mttt 84.34 -6.43 1.03 Allowed 'General case' 0 C--O 1.253 1.248 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 165.904 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 1.023 ' HG2' ' HA ' ' A' ' 28' ' ' CYS . 2.0 pm0 -42.23 158.22 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 123.386 1.565 . . . . 0.0 113.215 177.388 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 0.8 OUTLIER -134.93 156.14 78.68 Favored Pre-proline 0 C--O 1.246 0.91 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.704 -171.126 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.434 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 80.4 Cg_endo -63.04 -40.34 0.7 Allowed 'Cis proline' 0 N--CA 1.53 3.627 0 N-CA-C 115.379 1.261 . . . . 0.0 115.379 -2.62 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.904 ' HE3' ' CB ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -107.3 142.46 37.04 Favored 'General case' 0 C--O 1.251 1.152 0 O-C-N 121.291 -0.88 . . . . 0.0 110.093 173.313 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 1.023 ' HA ' ' HG2' ' A' ' 24' ' ' GLU . 1.7 p -54.02 -174.56 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.906 1.336 . . . . 0.0 110.355 170.507 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.85 -42.39 89.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 123.244 1.497 . . . . 0.0 109.657 170.281 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 1.065 ' HG2' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -46.05 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 176.093 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.863 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 58.2 m -60.75 -39.66 89.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.613 -170.737 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.84 -37.37 79.07 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 122.249 1.024 . . . . 0.0 109.914 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -71.59 -27.99 63.52 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.134 0.968 . . . . 0.0 111.3 -174.908 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.501 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 12.1 m120 -115.63 5.49 14.33 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.68 -175.135 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t30 49.82 82.61 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 122.159 0.981 . . . . 0.0 110.699 -171.281 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.837 ' CZ3' ' HE2' ' A' ' 30' ' ' LYS . 31.7 m0 -127.26 172.66 10.4 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.849 0.833 . . . . 0.0 110.211 -176.809 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -103.35 60.23 0.76 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.857 0.837 . . . . 0.0 110.566 -176.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.904 ' CB ' ' HE3' ' A' ' 27' ' ' LYS . 13.7 t -36.36 95.68 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 123.984 0.914 . . . . 0.0 112.582 172.345 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.654 0 CA-C-O 125.24 2.448 . . . . 0.0 112.38 179.688 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.229 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.9 p -69.21 175.47 3.86 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 122.512 1.149 . . . . 0.0 111.366 -170.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.908 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -70.5 -35.9 73.48 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 121.4 -0.812 . . . . 0.0 112.568 -175.548 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.689 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 2.3 mm -72.68 -28.35 27.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.559 0.695 . . . . 0.0 112.175 -172.103 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.3 m -78.47 -35.03 47.17 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.811 0.815 . . . . 0.0 110.567 178.059 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 1.031 ' HG3' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -53.4 -62.0 1.94 Allowed 'General case' 0 C--O 1.245 0.85 0 CA-C-O 122.423 1.106 . . . . 0.0 111.487 172.07 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 1.031 HD13 ' HG3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -70.14 -42.65 72.27 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.974 1.369 . . . . 0.0 110.326 -169.168 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.689 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 1.4 tptt -76.11 -22.35 55.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.991 -175.048 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.6 mttm 60.12 72.83 0.51 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 124.859 2.266 . . . . 0.0 109.626 -171.696 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.67 HD13 ' HB3' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -127.38 174.53 8.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 113.576 -1.647 . . . . 0.0 110.217 -173.128 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.93 143.84 26.59 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.323 170.43 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 t -127.73 76.93 1.72 Allowed 'General case' 0 C--O 1.243 0.744 0 CA-C-O 121.588 0.709 . . . . 0.0 112.461 -172.675 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.602 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.9 p -44.23 -13.72 0.02 OUTLIER 'General case' 0 C--O 1.245 0.844 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 167.099 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.602 ' HB2' ' O ' ' A' ' 22' ' ' SER . 7.3 mttt 91.02 -46.23 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 125.079 1.352 . . . . 0.0 113.311 169.954 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.838 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 3.3 pt-20 -21.14 144.01 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 126.321 2.962 . . . . 0.0 115.885 -165.122 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 8.5 mttt -117.73 148.73 43.75 Favored Pre-proline 0 CA--C 1.51 -0.584 0 O-C-N 119.802 -1.811 . . . . 0.0 112.66 -165.656 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.424 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 97.7 Cg_endo -65.6 -41.75 0.71 Allowed 'Cis proline' 0 N--CA 1.534 3.872 0 N-CA-C 115.876 1.452 . . . . 0.0 115.876 -3.372 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.485 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -106.7 139.69 40.73 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 121.198 -0.939 . . . . 0.0 110.21 177.215 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.838 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -55.23 179.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 122.505 1.145 . . . . 0.0 110.608 176.16 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.77 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -56.05 -40.69 73.91 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 123.52 1.629 . . . . 0.0 109.408 170.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.622 ' HE2' ' CD2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -50.68 -70.42 0.09 Allowed 'General case' 0 C--O 1.239 0.531 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 177.898 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.453 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 57.3 m -58.28 -40.65 82.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.465 0.65 . . . . 0.0 110.483 -173.018 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.689 HD22 ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -58.33 -38.29 76.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 122.243 1.02 . . . . 0.0 110.517 179.423 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.77 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 16.0 mtmt -71.64 -28.94 64.11 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.117 0.961 . . . . 0.0 111.205 -174.673 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.493 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 36.2 m-80 -112.61 4.09 17.06 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.485 -174.921 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t30 51.74 82.35 0.07 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.194 0.997 . . . . 0.0 110.4 -171.885 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.663 ' CE3' HG21 ' A' ' 13' ' ' ILE . 24.9 m0 -129.05 175.15 8.91 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.775 0.798 . . . . 0.0 110.721 -175.053 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -104.3 76.77 1.35 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.953 0.882 . . . . 0.0 110.499 177.221 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.485 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 17.6 t -52.79 95.27 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.209 1.004 . . . . 0.0 110.823 171.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.583 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 1.5 ttm-85 . . . . . 0 C--N 1.319 -0.718 0 CA-C-O 124.18 1.943 . . . . 0.0 112.121 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.4 mmt . . . . . 0 C--O 1.24 0.569 0 CA-C-O 121.549 0.69 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.31 118.08 2.55 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.91 0.862 . . . . 0.0 111.372 -174.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 73.43 139.07 0.06 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.956 0.884 . . . . 0.0 111.232 172.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.8 mt -147.06 -48.7 0.18 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.788 0.804 . . . . 0.0 110.879 177.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.97 179.58 5.93 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.857 0.837 . . . . 0.0 111.059 -176.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.4 -156.62 0.02 OUTLIER 'General case' 0 C--O 1.244 0.79 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.557 178.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.54 HD13 ' C ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -148.79 25.51 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.793 0 CA-C-O 122.195 0.998 . . . . 0.0 110.582 173.191 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -145.46 88.32 1.85 Allowed 'General case' 0 C--N 1.32 -0.674 0 O-C-N 120.833 -1.167 . . . . 0.0 109.88 171.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 1.022 ' HB3' ' HD3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -75.12 125.47 29.0 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.087 -170.86 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' A' ' 9' ' ' GLN . . . 177.04 123.14 0.03 OUTLIER 'General case' 0 C--O 1.263 1.774 0 CA-C-O 118.593 -0.718 . . . . 0.0 109.89 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.804 ' HA ' ' HB3' ' A' ' 40' ' ' TYR . 31.5 p -72.66 170.16 15.1 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 121.195 1.816 . . . . 0.0 112.578 -168.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.673 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -58.47 -42.69 88.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.158 0.98 . . . . 0.0 110.54 -179.556 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.616 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.0 OUTLIER -65.43 -28.59 44.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.491 0.662 . . . . 0.0 112.658 -172.597 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.8 m -77.85 -32.82 52.28 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.859 1.314 . . . . 0.0 110.264 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.673 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -49.19 -64.6 0.76 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 123.688 1.709 . . . . 0.0 110.816 170.626 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.61 HD12 ' O ' ' A' ' 12' ' ' ASP . 2.2 mp -66.34 -51.39 57.7 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 120.515 -1.365 . . . . 0.0 110.743 -168.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.914 ' HB2' HD22 ' A' ' 19' ' ' LEU . 10.2 mmtm -75.81 -18.47 59.48 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.828 -172.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? 60.42 72.9 0.5 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 123.506 1.622 . . . . 0.0 109.311 -170.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.914 HD22 ' HB2' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -127.31 156.5 41.85 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.733 -176.066 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.72 146.85 35.7 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.447 0.641 . . . . 0.0 110.907 172.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.558 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 24.9 t -130.71 80.05 1.93 Allowed 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.728 -0.607 . . . . 0.0 112.14 -171.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.574 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 6.3 p -40.44 -26.93 0.04 OUTLIER 'General case' 0 C--O 1.247 0.95 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 169.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 1.022 ' HD3' ' HB3' ' A' ' 9' ' ' GLN . 13.7 mttt 84.89 9.19 0.4 Allowed 'General case' 0 C--O 1.251 1.168 0 O-C-N 120.834 -1.166 . . . . 0.0 113.61 170.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.96 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.7 pt-20 -46.29 152.91 0.38 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 122.472 1.13 . . . . 0.0 110.407 168.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.584 ' HE2' ' HE2' ' A' ' 40' ' ' TYR . 66.9 mttt -133.79 147.43 64.31 Favored Pre-proline 0 C--O 1.242 0.68 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.125 -167.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.567 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 98.2 Cg_endo -66.34 -45.21 0.36 Allowed 'Cis proline' 0 N--CA 1.532 3.742 0 N-CA-C 115.752 1.405 . . . . 0.0 115.752 -3.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.668 ' HD3' ' HB3' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -98.94 137.77 37.01 Favored 'General case' 0 C--O 1.245 0.835 0 O-C-N 120.623 -1.298 . . . . 0.0 110.066 178.896 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.96 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -57.35 -174.18 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.527 1.156 . . . . 0.0 110.446 174.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.597 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -63.25 -40.18 96.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 123.205 1.478 . . . . 0.0 109.943 170.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.587 ' HG3' ' HZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -45.86 -71.64 0.07 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 175.892 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.489 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 83.5 m -60.66 -39.87 89.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.551 -172.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 32' ' ' LEU . 2.9 tt -57.89 -37.11 73.38 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.301 1.048 . . . . 0.0 110.08 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.597 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 6.2 mtpp -71.9 -30.87 65.84 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.068 0.937 . . . . 0.0 111.15 -173.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.491 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 12.7 m-80 -112.5 5.76 18.16 Favored 'General case' 0 C--O 1.249 1.042 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.218 -175.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 t30 51.43 82.37 0.06 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 122.464 1.126 . . . . 0.0 110.454 -171.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.616 ' CE3' HG21 ' A' ' 13' ' ' ILE . 29.7 m0 -128.27 173.16 10.39 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-O 121.625 0.726 . . . . 0.0 110.395 -176.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -106.02 64.23 0.68 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.801 0.81 . . . . 0.0 110.557 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.668 ' HB3' ' HD3' ' A' ' 27' ' ' LYS . 9.8 t -44.96 97.99 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.458 1.123 . . . . 0.0 112.009 175.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.03 94.75 4.54 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.911 172.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.804 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 0.4 OUTLIER -99.07 55.05 1.0 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.966 1.365 . . . . 0.0 110.151 171.331 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.2 t -154.74 83.01 4.03 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-O 121.994 0.902 . . . . 0.0 110.464 171.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -41.81 -81.8 0.02 OUTLIER 'Trans proline' 0 N--CA 1.528 3.541 1 C-N-CA 126.666 4.91 . . . . 0.0 115.584 -176.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tptp . . . . . 0 C--O 1.27 2.169 0 CA-C-O 122.046 0.927 . . . . 0.0 111.167 -172.076 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.513 -0.457 0 CA-C-O 121.584 0.707 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.481 ' HB3' HD12 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -41.51 -83.3 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 123.449 0.7 . . . . 0.0 112.243 177.504 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.576 ' O ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -165.35 179.45 6.19 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.712 -0.618 . . . . 0.0 111.219 176.753 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.646 HD23 ' C ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER 114.93 26.91 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 127.539 2.335 . . . . 0.0 111.084 -175.378 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.73 -50.84 0.55 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.316 0.579 . . . . 0.0 111.279 -177.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 p 53.0 35.76 20.27 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.196 0.998 . . . . 0.0 111.043 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 162.49 135.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.256 1.443 0 C-N-CA 123.451 0.7 . . . . 0.0 109.312 -171.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.29 54.96 1.45 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 119.64 1.109 . . . . 0.0 112.469 -171.108 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.591 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.9 mt-30 -82.96 -174.34 5.22 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.659 168.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 9' ' ' GLN . . . 69.63 128.83 0.03 OUTLIER 'General case' 0 C--O 1.257 1.495 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 -167.205 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 39' ' ' ARG . 30.4 p -72.43 175.06 6.55 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 120.264 1.393 . . . . 0.0 113.433 -166.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.683 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 9.9 t70 -59.03 -49.28 78.49 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.069 175.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.601 HG21 ' CE3' ' A' ' 36' ' ' TRP . 3.0 mm -56.28 -30.58 30.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -172.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.2 m -77.42 -30.74 53.64 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 123.083 1.42 . . . . 0.0 109.899 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.683 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -52.36 -62.82 1.4 Allowed 'General case' 0 C--O 1.241 0.609 0 CA-C-O 122.849 1.309 . . . . 0.0 111.694 170.077 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.92 -52.65 58.84 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.457 1.123 . . . . 0.0 110.728 -169.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.917 ' HB2' HD22 ' A' ' 19' ' ' LEU . 5.0 mmmt -74.97 -21.15 59.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 122.103 0.954 . . . . 0.0 111.655 -175.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' C ' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER 56.18 74.95 0.37 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 124.715 2.198 . . . . 0.0 108.914 -169.848 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.917 HD22 ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -120.24 178.18 4.74 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 113.38 -1.736 . . . . 0.0 109.899 179.613 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -89.04 151.26 22.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.775 170.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.1 t -130.88 78.77 1.86 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.321 0.581 . . . . 0.0 112.526 -175.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.65 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 10.3 p -39.47 -29.86 0.06 Allowed 'General case' 0 C--O 1.244 0.77 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 169.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.65 ' HB2' ' O ' ' A' ' 22' ' ' SER . 7.7 mttp 87.64 7.52 0.2 Allowed 'General case' 0 C--O 1.252 1.191 0 C-N-CA 124.4 1.08 . . . . 0.0 113.737 169.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 1.148 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.8 pt-20 -44.66 159.56 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 122.659 1.219 . . . . 0.0 111.252 170.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.35 145.85 51.38 Favored Pre-proline 0 C--O 1.244 0.807 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.442 -169.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.485 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 99.0 Cg_endo -66.6 -45.9 0.33 Allowed 'Cis proline' 0 N--CA 1.531 3.705 0 N-CA-C 115.745 1.402 . . . . 0.0 115.745 -3.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.485 ' HG2' ' HG2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -96.52 138.04 34.7 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 120.603 -1.311 . . . . 0.0 109.541 179.621 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 1.148 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -56.25 -172.2 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 123.2 1.476 . . . . 0.0 110.359 172.074 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.742 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -63.63 -40.02 95.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 122.627 1.203 . . . . 0.0 110.578 170.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.898 ' HD3' HD23 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -46.78 -72.57 0.05 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 173.605 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.415 ' HA ' ' HB2' ' A' ' 36' ' ' TRP . 35.4 m -72.23 -13.21 61.47 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.241 1.019 . . . . 0.0 113.706 -168.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -76.84 -43.63 35.45 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 119.984 -1.697 . . . . 0.0 110.241 167.757 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.742 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 4.5 mttm -69.2 -27.73 65.76 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.536 1.16 . . . . 0.0 111.292 -171.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.503 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 19.0 m-80 -114.66 -3.07 12.91 Favored 'General case' 0 C--O 1.254 1.337 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -171.043 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 t30 59.33 51.96 6.34 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 125.081 2.372 . . . . 0.0 109.419 -175.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.601 ' CE3' HG21 ' A' ' 13' ' ' ILE . 42.9 m0 -98.83 172.86 7.17 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 114.228 -1.351 . . . . 0.0 110.881 169.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -108.24 71.24 0.79 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.008 0.908 . . . . 0.0 110.858 -173.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.417 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 10.6 t -45.67 107.05 0.09 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.929 1.347 . . . . 0.0 111.4 177.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.502 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -96.37 148.42 22.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.712 169.878 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -141.73 106.35 4.87 Favored 'General case' 0 C--O 1.248 1.012 0 O-C-N 121.575 -0.703 . . . . 0.0 110.907 -172.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.565 ' CB ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER 59.01 -175.55 0.03 OUTLIER Pre-proline 0 C--N 1.318 -0.798 0 CA-C-O 122.083 0.944 . . . . 0.0 111.88 170.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.565 ' CD ' ' CB ' ' A' ' 41' ' ' SER . 50.1 Cg_exo -59.27 -83.01 0.01 OUTLIER 'Trans proline' 0 N--CA 1.529 3.588 1 C-N-CA 126.538 4.825 . . . . 0.0 114.934 177.529 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.412 ' H ' ' HB2' ' A' ' 42' ' ' PRO . 74.9 mttt . . . . . 0 C--O 1.27 2.144 0 CA-C-O 121.953 0.882 . . . . 0.0 111.053 -172.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.4 mtp . . . . . 0 CA--C 1.511 -0.521 0 CA-C-O 121.612 0.72 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -127.43 122.67 34.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.992 0.901 . . . . 0.0 111.305 -172.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.48 -7.96 4.16 Favored 'General case' 0 C--O 1.247 0.939 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 172.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.64 29.5 0.47 Allowed 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.35 -0.844 . . . . 0.0 110.999 -174.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 6' ' ' SER . 8.2 t -152.63 95.33 2.0 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.823 0.821 . . . . 0.0 111.332 -173.432 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 5' ' ' SER . 24.9 m 72.2 -166.61 0.13 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.103 0.954 . . . . 0.0 111.704 172.005 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.61 HG23 ' O ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -173.5 65.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 123.049 1.404 . . . . 0.0 110.454 -172.517 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.69 7.67 8.04 Favored 'General case' 0 C--O 1.246 0.91 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -168.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.558 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 4.5 mt-30 -84.63 -171.86 3.86 Favored 'General case' 0 C--N 1.316 -0.868 0 O-C-N 121.48 -0.762 . . . . 0.0 112.397 -172.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 9' ' ' GLN . . . 70.07 114.92 0.04 OUTLIER 'General case' 0 C--O 1.258 1.55 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -168.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.918 ' HA ' ' HB2' ' A' ' 40' ' ' TYR . 31.3 p -77.36 174.97 10.2 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 120.82 1.645 . . . . 0.0 113.452 -166.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.825 ' HA ' ' HD2' ' A' ' 15' ' ' ARG . 8.1 t70 -54.78 -43.32 72.7 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-O 122.35 1.071 . . . . 0.0 111.468 176.134 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.533 HG21 ' CE3' ' A' ' 36' ' ' TRP . 2.4 mm -65.18 -27.24 41.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -175.374 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.6 m -77.97 -36.42 49.05 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.395 0.617 . . . . 0.0 110.508 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.825 ' HD2' ' HA ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -52.4 -59.09 4.84 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-O 122.322 1.058 . . . . 0.0 111.452 171.139 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.78 -52.28 61.03 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 120.576 -1.327 . . . . 0.0 110.517 -168.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.845 ' HB2' HD22 ' A' ' 19' ' ' LEU . 2.3 mptp? -76.41 -20.07 57.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.133 -0.939 . . . . 0.0 111.791 -173.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? 61.08 71.54 0.56 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 123.737 1.732 . . . . 0.0 109.298 -171.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.845 HD22 ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -124.18 164.58 19.2 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.294 -1.321 . . . . 0.0 109.982 -172.496 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' H ' ' HG3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.14 138.93 31.01 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.408 0.623 . . . . 0.0 110.931 172.157 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.584 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 5.6 t -119.05 82.08 1.81 Allowed 'General case' 0 C--N 1.32 -0.701 0 O-C-N 121.881 -0.512 . . . . 0.0 112.251 -172.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.613 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.8 p -39.9 -29.54 0.07 Allowed 'General case' 0 C--O 1.244 0.782 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 169.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.613 ' HB2' ' O ' ' A' ' 22' ' ' SER . 24.8 mttp 86.02 11.8 0.2 Allowed 'General case' 0 C--O 1.251 1.171 0 C-N-CA 124.635 1.174 . . . . 0.0 113.923 169.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 1.015 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 3.0 pt-20 -52.04 161.44 0.59 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 123.291 1.52 . . . . 0.0 113.019 168.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.594 ' HG2' ' OH ' ' A' ' 40' ' ' TYR . 17.8 mtpp -135.53 149.33 69.07 Favored Pre-proline 0 C--O 1.245 0.832 0 CA-C-N 114.51 -1.223 . . . . 0.0 112.483 -170.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -66.36 -44.07 0.47 Allowed 'Cis proline' 0 N--CA 1.532 3.764 0 N-CA-C 115.73 1.396 . . . . 0.0 115.73 -3.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.32 139.41 35.02 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 120.914 -1.116 . . . . 0.0 109.458 177.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 1.015 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.4 p -54.19 178.74 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 122.642 1.211 . . . . 0.0 110.27 173.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.744 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -58.88 -39.16 80.56 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 123.734 1.73 . . . . 0.0 109.045 171.15 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.77 ' HE2' ' CD2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -45.73 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 174.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.454 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 63.1 m -61.24 -41.49 96.98 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.431 -170.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.467 HD13 ' C ' ' A' ' 32' ' ' LEU . 1.4 tm? -59.04 -35.22 72.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.049 0.928 . . . . 0.0 110.637 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.744 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 2.1 mtmp? -73.17 -29.78 63.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.134 0.968 . . . . 0.0 111.51 -176.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.469 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 43.5 m-80 -111.96 8.01 20.11 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.119 -177.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 45.35 81.4 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.222 1.011 . . . . 0.0 111.302 -171.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.634 ' HZ3' ' HG3' ' A' ' 30' ' ' LYS . 17.9 m0 -123.68 -178.08 3.92 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.824 0.821 . . . . 0.0 110.466 -172.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -108.0 84.92 2.03 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.795 0.807 . . . . 0.0 111.572 173.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.3 t -63.07 91.81 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.998 0.904 . . . . 0.0 111.045 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.82 83.32 2.92 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 123.449 1.595 . . . . 0.0 110.759 172.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.918 ' HB2' ' HA ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -138.61 149.88 45.71 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 114.792 -1.094 . . . . 0.0 111.593 -169.193 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 1.044 ' HB3' ' HD2' ' A' ' 42' ' ' PRO . 13.2 m 64.91 -168.05 0.01 OUTLIER Pre-proline 0 C--N 1.321 -0.64 0 CA-C-O 121.146 0.498 . . . . 0.0 110.58 175.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 1.044 ' HD2' ' HB3' ' A' ' 41' ' ' SER . 0.3 OUTLIER -28.8 -58.88 0.12 Allowed 'Trans proline' 0 N--CA 1.532 3.748 1 C-N-CA 126.441 4.761 . . . . 0.0 115.015 178.605 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.4 tttm . . . . . 0 C--O 1.27 2.15 0 CA-C-O 122.104 0.954 . . . . 0.0 110.714 171.911 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.8 mmm . . . . . 0 CA--C 1.511 -0.553 0 CA-C-O 121.892 0.853 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.73 30.79 0.08 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.694 0.759 . . . . 0.0 111.036 173.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.22 141.68 57.34 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.683 0.754 . . . . 0.0 110.688 -177.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 52.83 -96.3 0.05 Allowed 'General case' 0 C--O 1.244 0.773 0 O-C-N 121.996 -0.44 . . . . 0.0 110.363 -172.015 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 44.89 -153.95 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.473 0.654 . . . . 0.0 111.36 -178.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -131.61 94.58 3.55 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 121.623 -0.673 . . . . 0.0 110.52 171.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.401 ' CB ' ' O ' ' A' ' 6' ' ' SER . 0.0 OUTLIER 159.04 -20.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 C-N-CA 125.239 1.416 . . . . 0.0 112.881 174.054 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.648 ' OE1' ' HE3' ' A' ' 23' ' ' LYS . 2.9 tp10 -90.13 83.94 6.08 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 123.434 1.587 . . . . 0.0 110.319 177.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.622 ' O ' ' HE2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -61.72 150.47 36.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 122.869 1.319 . . . . 0.0 111.789 -172.808 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' N ' ' HG3' ' A' ' 9' ' ' GLN . . . -146.03 147.5 31.7 Favored 'General case' 0 C--O 1.247 0.947 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 171.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.541 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 16.7 p -58.91 171.27 0.7 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 122.475 1.131 . . . . 0.0 112.499 -169.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.825 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 8.6 t0 -58.78 -58.33 9.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.106 -174.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 1.034 HG12 HD21 ' A' ' 16' ' ' LEU . 3.8 mt -73.81 -10.48 13.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -169.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.1 m -76.98 -28.11 54.98 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 123.887 1.803 . . . . 0.0 108.551 167.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.825 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -63.19 -61.13 2.57 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-N 114.955 -1.021 . . . . 0.0 112.998 167.638 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.034 HD21 HG12 ' A' ' 13' ' ' ILE . 3.0 pp -68.55 -42.06 78.91 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 123.645 1.688 . . . . 0.0 109.639 -169.034 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.784 ' HB3' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -78.27 -25.65 46.84 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 114.295 -1.321 . . . . 0.0 111.885 -174.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.89 71.75 0.55 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 123.747 1.737 . . . . 0.0 109.575 -169.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.784 HD22 ' HB3' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -125.79 -177.67 4.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.33 -1.304 . . . . 0.0 110.515 -174.799 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt -89.0 147.92 24.03 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.002 171.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.796 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 5.5 t -137.63 68.81 1.4 Allowed 'General case' 0 C--O 1.245 0.817 0 CA-C-O 121.268 0.556 . . . . 0.0 112.386 -178.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.636 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 6.3 p -39.41 -24.57 0.01 OUTLIER 'General case' 0 C--O 1.245 0.847 0 O-C-N 121.339 -0.85 . . . . 0.0 112.93 168.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.796 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 5.0 mtpm? 86.77 8.63 0.23 Allowed 'General case' 0 C--O 1.253 1.244 0 C-N-CA 124.552 1.141 . . . . 0.0 113.994 168.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.848 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 0.7 OUTLIER -46.77 155.24 0.26 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 122.774 1.274 . . . . 0.0 110.65 169.156 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.404 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -137.22 152.99 74.58 Favored Pre-proline 0 C--O 1.243 0.712 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.02 -168.023 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.404 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 97.2 Cg_endo -65.33 -38.88 1.07 Allowed 'Cis proline' 0 N--CA 1.532 3.756 0 N-CA-C 115.697 1.383 . . . . 0.0 115.697 -3.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.732 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -104.37 139.95 38.6 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 121.294 -0.878 . . . . 0.0 110.401 174.59 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.848 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.7 p -56.94 -173.11 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.557 1.17 . . . . 0.0 110.276 172.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.685 ' O ' ' HG2' ' A' ' 33' ' ' LYS . . . -62.16 -43.39 98.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.989 1.376 . . . . 0.0 109.974 170.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.904 ' HE2' ' CZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -46.52 -71.1 0.08 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 177.565 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.732 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 55.7 m -59.65 -41.41 90.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.907 -172.02 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.59 HD23 ' O ' ' A' ' 32' ' ' LEU . 1.1 tt -59.76 -34.58 73.16 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.253 1.025 . . . . 0.0 110.253 -177.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.685 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 6.4 mmtp -73.22 -32.98 65.09 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.333 1.064 . . . . 0.0 111.44 -174.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.517 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 13.0 m-80 -109.45 5.71 23.57 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.694 -177.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.0 t30 50.42 85.03 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.947 0.88 . . . . 0.0 110.688 -171.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.904 ' CZ3' ' HE2' ' A' ' 30' ' ' LYS . 35.6 m0 -128.99 171.39 12.4 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.462 -0.774 . . . . 0.0 110.289 -177.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -100.85 64.42 1.08 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.635 0.731 . . . . 0.0 110.61 -175.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.7 t -44.7 94.04 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.093 0.949 . . . . 0.0 111.72 173.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 1.055 ' HG2' ' HG3' ' A' ' 42' ' ' PRO . 1.3 ttp85 -104.77 100.47 10.11 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 122.46 1.124 . . . . 0.0 112.657 -179.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.541 ' CE1' ' HB3' ' A' ' 11' ' ' CYS . 21.2 m-85 -98.45 121.91 40.99 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.44 -0.788 . . . . 0.0 109.389 170.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 p 43.65 81.06 0.26 Allowed Pre-proline 0 C--N 1.318 -0.799 0 CA-C-O 123.339 1.542 . . . . 0.0 111.218 -173.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 1.055 ' HG3' ' HG2' ' A' ' 39' ' ' ARG . 78.5 Cg_exo -56.96 -79.08 0.02 OUTLIER 'Trans proline' 0 N--CA 1.53 3.635 1 C-N-CA 126.587 4.858 . . . . 0.0 114.748 178.386 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.152 0 CA-C-O 122.167 0.984 . . . . 0.0 110.971 -172.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.496 0 CA-C-O 121.734 0.778 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -126.07 98.96 5.7 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.853 0.835 . . . . 0.0 110.865 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.2 tp -100.22 132.61 45.49 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.811 0.815 . . . . 0.0 111.366 -172.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.474 ' O ' HD12 ' A' ' 4' ' ' LEU . 1.8 pp -149.36 92.31 1.93 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.831 0.824 . . . . 0.0 110.866 172.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.91 139.69 53.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.787 0.803 . . . . 0.0 111.219 -172.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.869 ' O ' HG23 ' A' ' 7' ' ' ILE . 0.1 OUTLIER 170.57 144.32 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 O-C-N 121.916 -0.49 . . . . 0.0 111.126 -172.811 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.869 HG23 ' O ' ' A' ' 6' ' ' SER 0.256 0.1 OUTLIER 174.23 -128.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 C-N-CA 125.461 1.505 . . . . 0.0 109.042 -170.969 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.424 ' HB3' ' H ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -123.52 -151.33 0.47 Allowed 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.66 0.743 . . . . 0.0 110.368 -170.56 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.585 ' HG2' ' HE2' ' A' ' 23' ' ' LYS . 7.8 pt20 -52.98 150.7 5.29 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.248 1.023 . . . . 0.0 111.086 -171.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -157.45 142.59 16.97 Favored 'General case' 0 C--O 1.253 1.253 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.286 171.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.731 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 26.6 p -59.59 171.95 0.77 Allowed 'General case' 0 C--N 1.315 -0.901 0 O-C-N 121.377 -0.827 . . . . 0.0 112.111 -169.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.707 ' O ' HD23 ' A' ' 16' ' ' LEU . 14.4 t70 -57.66 -37.26 73.08 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.008 0.909 . . . . 0.0 111.008 178.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.657 HG21 ' CE3' ' A' ' 36' ' ' TRP . 2.2 mm -74.41 -26.54 20.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -172.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.5 m -78.58 -33.85 47.34 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.908 1.337 . . . . 0.0 110.373 178.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.731 ' HG2' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -51.3 -65.21 0.6 Allowed 'General case' 0 C--O 1.241 0.608 0 CA-C-O 123.437 1.589 . . . . 0.0 110.988 171.292 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 12' ' ' ASP . 0.8 OUTLIER -67.54 -46.24 73.35 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.846 1.308 . . . . 0.0 110.501 -168.521 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.893 ' HB3' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -76.88 -21.68 54.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.972 -174.075 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.471 ' O ' HD12 ' A' ' 19' ' ' LEU . 8.2 mttt 61.03 73.07 0.49 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 123.531 1.634 . . . . 0.0 109.678 -170.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.893 HD13 ' HB3' ' A' ' 17' ' ' LYS . 1.0 OUTLIER -126.84 168.99 13.7 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.338 -175.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.475 ' H ' ' HG2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.32 148.51 24.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.85 171.83 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.7 t -132.78 76.91 1.71 Allowed 'General case' 0 C--O 1.245 0.858 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -172.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.638 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 4.6 p -39.05 -26.48 0.02 OUTLIER 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.426 -0.796 . . . . 0.0 112.887 168.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.638 ' HB2' ' O ' ' A' ' 22' ' ' SER . 12.7 mttp 87.61 7.31 0.21 Allowed 'General case' 0 C--O 1.252 1.208 0 C-N-CA 124.747 1.219 . . . . 0.0 113.864 169.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 1.084 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.7 pt-20 -45.37 157.98 0.08 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 122.529 1.157 . . . . 0.0 110.926 170.021 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.671 ' HG2' ' HE2' ' A' ' 40' ' ' TYR . 6.1 mtmm -138.05 152.07 71.22 Favored Pre-proline 0 C--O 1.243 0.76 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.967 -169.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.447 ' HG2' ' HG3' ' A' ' 27' ' ' LYS . 83.0 Cg_endo -64.76 -42.13 0.63 Allowed 'Cis proline' 0 N--CA 1.53 3.631 0 N-CA-C 115.316 1.237 . . . . 0.0 115.316 -3.152 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.742 ' HE3' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -102.3 141.7 34.7 Favored 'General case' 0 C--N 1.318 -0.802 0 O-C-N 121.001 -1.062 . . . . 0.0 110.721 175.165 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 1.084 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -55.7 -174.66 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 122.597 1.189 . . . . 0.0 110.623 172.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.529 ' HB2' ' OE2' ' A' ' 24' ' ' GLU . . . -63.01 -39.66 95.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 123.042 1.401 . . . . 0.0 110.096 171.181 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.891 ' CG ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -48.03 -69.15 0.13 Allowed 'General case' 0 C--O 1.242 0.69 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 175.221 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.486 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 83.3 m -59.97 -41.21 91.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.553 -0.717 . . . . 0.0 110.466 -173.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.742 ' HG ' ' HE3' ' A' ' 27' ' ' LYS . 2.8 tt -58.65 -35.57 72.75 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.36 1.076 . . . . 0.0 109.986 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -75.45 -26.9 58.67 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.848 -173.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.511 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 8.1 m120 -114.22 6.61 16.28 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.354 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 50.01 84.86 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.012 0.911 . . . . 0.0 111.161 -171.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.657 ' CE3' HG21 ' A' ' 13' ' ' ILE . 28.4 m0 -130.05 173.06 11.09 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-O 121.621 0.725 . . . . 0.0 110.351 -175.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.21 54.74 0.7 Allowed 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.085 -1.009 . . . . 0.0 111.334 -172.06 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.534 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 13.3 t -41.52 106.34 0.06 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.915 1.34 . . . . 0.0 113.834 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.401 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 1.6 mtt180 -96.86 174.59 6.72 Favored 'General case' 0 C--O 1.248 0.998 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.831 165.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.671 ' HE2' ' HG2' ' A' ' 25' ' ' LYS . 5.3 m-85 -137.67 -35.14 0.66 Allowed 'General case' 0 C--O 1.255 1.352 0 O-C-N 120.137 -1.602 . . . . 0.0 113.432 173.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.476 ' HA ' ' HD3' ' A' ' 42' ' ' PRO . 0.6 OUTLIER 174.08 147.96 0.23 Allowed Pre-proline 0 C--N 1.318 -0.764 0 CA-C-O 122.863 1.315 . . . . 0.0 112.211 -177.328 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 41' ' ' SER . 36.5 Cg_endo -94.88 -79.71 0.0 OUTLIER 'Trans proline' 0 N--CA 1.528 3.514 1 C-N-CA 127.592 5.528 . . . . 0.0 115.103 177.268 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt . . . . . 0 C--O 1.27 2.159 0 CA-C-O 122.001 0.905 . . . . 0.0 111.177 -178.883 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ttp . . . . . 0 CA--C 1.513 -0.472 0 CA-C-O 121.966 0.889 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 3' ' ' LEU . 11.8 tptm -145.33 148.41 33.38 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.427 0.632 . . . . 0.0 110.549 -174.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.748 ' O ' HD12 ' A' ' 3' ' ' LEU . 0.2 OUTLIER 76.12 -0.89 3.04 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -173.749 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.626 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -32.22 -61.89 0.24 Allowed 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 124.355 1.062 . . . . 0.0 113.091 -171.733 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.56 178.5 8.24 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.871 0.843 . . . . 0.0 111.156 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 p -64.51 -158.91 0.01 OUTLIER 'General case' 0 C--O 1.253 1.263 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.039 172.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.505 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 0.3 OUTLIER 47.24 74.87 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 124.531 2.11 . . . . 0.0 108.977 -171.508 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.29 27.03 4.4 Favored 'General case' 0 C--O 1.243 0.73 0 CA-C-N 114.219 -1.355 . . . . 0.0 112.457 172.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.806 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -57.53 173.42 0.28 Allowed 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.509 -0.745 . . . . 0.0 110.628 171.222 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.806 ' N ' ' HG3' ' A' ' 9' ' ' GLN . . . -179.99 144.51 0.19 Allowed 'General case' 0 C--O 1.252 1.233 0 O-C-N 121.925 -0.484 . . . . 0.0 110.416 172.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.743 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 21.9 p -77.46 173.99 11.35 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 120.667 -1.271 . . . . 0.0 111.416 -172.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.635 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 2.6 t70 -66.06 -50.49 63.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.569 0.699 . . . . 0.0 110.743 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.579 HG21 ' CE3' ' A' ' 36' ' ' TRP . 2.7 mm -56.3 -28.94 26.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -174.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.1 m -78.09 -32.04 50.41 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 123.139 1.447 . . . . 0.0 110.122 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.635 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -51.2 -63.02 1.27 Allowed 'General case' 0 C--O 1.242 0.673 0 CA-C-O 123.13 1.443 . . . . 0.0 111.498 170.58 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.71 -49.79 64.93 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 120.666 -1.271 . . . . 0.0 110.759 -169.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.823 ' HB2' ' CD2' ' A' ' 19' ' ' LEU . 10.5 mmtm -75.01 -21.4 59.14 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.993 0.902 . . . . 0.0 111.851 -175.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.713 ' C ' HD13 ' A' ' 19' ' ' LEU . 7.5 mttt 58.36 74.97 0.41 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 123.288 1.518 . . . . 0.0 109.805 -170.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.823 ' CD2' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -123.11 178.41 5.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.824 1.297 . . . . 0.0 109.608 172.305 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -88.97 158.78 17.92 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.843 170.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.857 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 7.5 t -139.14 78.57 1.68 Allowed 'General case' 0 C--O 1.242 0.702 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -174.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.595 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 3.5 p -39.72 -28.98 0.05 Allowed 'General case' 0 C--O 1.244 0.788 0 O-C-N 121.418 -0.801 . . . . 0.0 113.014 168.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.857 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 17.9 mttp 87.86 8.53 0.16 Allowed 'General case' 0 C--O 1.257 1.489 0 C-N-CA 124.603 1.161 . . . . 0.0 113.703 169.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 1.119 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.6 pt-20 -46.23 156.88 0.14 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 119.495 1.043 . . . . 0.0 110.165 169.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.419 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 9.6 mtmm -137.2 154.85 76.01 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-O 121.654 0.74 . . . . 0.0 112.021 -168.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.434 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 89.5 Cg_endo -64.78 -40.07 0.86 Allowed 'Cis proline' 0 N--CA 1.531 3.695 0 N-CA-C 115.69 1.381 . . . . 0.0 115.69 -3.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -102.99 142.31 34.31 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.126 -0.984 . . . . 0.0 110.286 172.841 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 1.119 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -54.35 -175.85 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.738 1.256 . . . . 0.0 110.104 171.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.523 ' O ' ' HG2' ' A' ' 33' ' ' LYS . . . -52.57 -49.37 65.11 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.39 1.09 . . . . 0.0 110.041 171.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.521 ' CE ' ' HG ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -72.83 -44.46 61.41 Favored 'General case' 0 C--O 1.274 2.384 0 N-CA-C 117.028 2.233 . . . . 0.0 117.028 -168.018 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.546 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 61.8 m -57.64 -40.58 79.56 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 121.326 1.875 . . . . 0.0 108.212 174.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.673 ' O ' HD13 ' A' ' 32' ' ' LEU . 2.8 tm? -60.41 -33.59 72.72 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.927 0.87 . . . . 0.0 110.86 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -75.7 -28.37 58.6 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.175 0.988 . . . . 0.0 111.985 -175.611 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.465 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 17.2 m-20 -112.74 11.23 19.38 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 123.202 0.601 . . . . 0.0 111.545 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 42.35 83.44 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.931 0.872 . . . . 0.0 111.806 -172.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.579 ' CE3' HG21 ' A' ' 13' ' ' ILE . 17.6 m0 -125.78 175.66 7.47 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.973 0.892 . . . . 0.0 110.586 -172.16 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -104.95 59.43 0.69 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.086 0.946 . . . . 0.0 110.917 -175.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.2 t -42.94 95.83 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.186 0.994 . . . . 0.0 111.866 172.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.11 102.19 9.39 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.743 ' CD2' ' HB3' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -98.05 -9.99 25.07 Favored 'General case' 0 C--O 1.248 0.989 0 O-C-N 121.977 -0.452 . . . . 0.0 111.899 175.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.767 ' N ' ' HD2' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -48.17 -46.67 66.58 Favored Pre-proline 0 C--N 1.318 -0.785 0 O-C-N 121.226 -0.921 . . . . 0.0 112.936 -171.866 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.767 ' HD2' ' N ' ' A' ' 41' ' ' SER . 17.8 Cg_endo -52.82 -94.09 0.0 OUTLIER 'Trans proline' 0 N--CA 1.531 3.7 1 C-N-CA 126.369 4.713 . . . . 0.0 114.722 -176.804 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.4 mttm . . . . . 0 C--O 1.27 2.166 0 CA-C-O 122.023 0.916 . . . . 0.0 110.987 -171.418 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.9 mtt . . . . . 0 CA--C 1.514 -0.419 0 CA-C-O 122.32 1.057 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 157.28 -33.01 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 123.063 1.411 . . . . 0.0 109.509 -171.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.73 -148.37 0.17 Allowed 'General case' 0 C--O 1.245 0.827 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.951 170.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.2 114.09 25.77 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.672 0.749 . . . . 0.0 110.858 171.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 t -133.11 -70.14 0.54 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.661 0.743 . . . . 0.0 110.914 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 71.34 -153.79 0.1 Allowed 'General case' 0 C--O 1.242 0.681 0 CA-C-O 121.339 0.59 . . . . 0.0 110.605 178.228 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.586 HG22 ' O ' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -124.59 85.7 0.98 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.926 0 O-C-N 121.516 -0.74 . . . . 0.0 109.616 172.364 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.71 52.64 0.01 OUTLIER 'General case' 0 C--O 1.248 1.009 0 O-C-N 121.361 -0.837 . . . . 0.0 113.083 172.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.806 ' O ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -64.22 121.4 14.16 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.413 -0.804 . . . . 0.0 109.265 169.276 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.71 152.74 34.36 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.461 0.648 . . . . 0.0 109.496 -172.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.472 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 30.4 p -72.25 178.62 3.79 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.324 0.583 . . . . 0.0 111.141 -172.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -61.56 -35.1 76.84 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 121.429 -0.795 . . . . 0.0 110.944 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 1.004 HD13 HD21 ' A' ' 16' ' ' LEU . 6.9 mm -76.2 -28.18 18.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -173.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.571 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 16.6 m -79.74 -35.93 38.06 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.775 1.274 . . . . 0.0 110.137 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.622 ' HG2' ' N ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -53.19 -60.26 3.51 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-O 122.557 1.17 . . . . 0.0 111.17 169.065 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.03 HD12 ' HG2' ' A' ' 17' ' ' LYS . 2.3 pp -63.41 -52.23 62.47 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 120.553 -1.342 . . . . 0.0 110.488 -169.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 1.03 ' HG2' HD12 ' A' ' 16' ' ' LEU . 3.4 mmtm -77.51 -21.69 52.35 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.037 0.922 . . . . 0.0 111.995 -174.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.6 mttt 59.11 72.38 0.53 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 124.701 2.191 . . . . 0.0 109.424 -170.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.757 HD22 ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -120.57 -179.7 4.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 113.557 -1.656 . . . . 0.0 110.3 -173.116 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.521 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.86 141.04 28.83 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.016 171.477 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.571 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 16.5 t -136.89 80.0 1.79 Allowed 'General case' 0 C--O 1.244 0.784 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -172.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.533 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.0 p -41.75 -23.1 0.02 OUTLIER 'General case' 0 C--O 1.247 0.944 0 N-CA-C 114.05 1.129 . . . . 0.0 114.05 167.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.806 ' HE3' ' O ' ' A' ' 9' ' ' GLN . 9.0 mttp 77.33 4.11 3.17 Favored 'General case' 0 C--O 1.25 1.092 0 O-C-N 120.56 -1.338 . . . . 0.0 114.534 174.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.696 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -46.35 154.51 0.27 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 122.781 1.277 . . . . 0.0 110.631 169.858 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.442 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 79.6 mttt -135.95 154.09 77.45 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.265 -167.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 88.8 Cg_endo -64.8 -41.17 0.73 Allowed 'Cis proline' 0 N--CA 1.531 3.733 0 N-CA-C 115.482 1.301 . . . . 0.0 115.482 -3.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.53 ' HA ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -103.31 140.32 37.57 Favored 'General case' 0 C--O 1.245 0.848 0 O-C-N 121.132 -0.98 . . . . 0.0 110.39 174.096 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.696 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -56.51 -175.75 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.66 1.219 . . . . 0.0 110.235 172.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.633 ' HB2' ' OE2' ' A' ' 24' ' ' GLU . . . -62.53 -40.48 96.92 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 123.304 1.526 . . . . 0.0 109.689 170.216 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.513 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -45.87 -72.33 0.06 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 176.094 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.469 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 85.2 m -58.55 -42.73 88.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.323 -171.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.616 HD22 ' O ' ' A' ' 32' ' ' LEU . 1.1 tm? -59.37 -33.91 71.76 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.079 0.942 . . . . 0.0 110.0 -176.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 29.3 mmtt -77.45 -29.57 52.85 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.255 1.026 . . . . 0.0 111.886 -174.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.491 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 33.3 m-80 -105.35 4.96 31.43 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.046 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 48.64 81.16 0.05 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.242 1.02 . . . . 0.0 110.861 -171.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.614 ' CE3' HG21 ' A' ' 13' ' ' ILE . 26.4 m0 -125.96 174.28 8.53 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-O 121.673 0.749 . . . . 0.0 110.425 -175.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -105.1 63.28 0.7 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.796 0.808 . . . . 0.0 110.897 -176.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.53 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 8.3 t -46.08 98.55 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.892 0.853 . . . . 0.0 111.213 172.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.86 116.05 21.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.736 1.255 . . . . 0.0 113.642 172.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.472 ' CE1' ' HB3' ' A' ' 11' ' ' CYS . 51.8 m-85 -94.96 -23.0 17.59 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 121.085 -1.01 . . . . 0.0 109.882 -176.103 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 40.51 92.8 0.05 OUTLIER Pre-proline 0 C--N 1.319 -0.746 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 166.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -43.57 -33.29 4.39 Favored 'Trans proline' 0 N--CA 1.529 3.598 1 C-N-CA 125.927 4.418 . . . . 0.0 114.599 176.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt . . . . . 0 C--O 1.271 2.205 0 CA-C-O 122.016 0.912 . . . . 0.0 110.902 172.207 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.512 -0.512 0 CA-C-O 121.651 0.739 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 1.2 pttm -111.51 -169.57 1.48 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.162 0.506 . . . . 0.0 110.987 -179.061 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 2' ' ' LYS . 1.8 mt 92.31 -65.88 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 126.557 1.943 . . . . 0.0 110.584 175.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 4' ' ' LEU . 1.4 tt 62.0 14.98 6.88 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 121.698 -0.626 . . . . 0.0 112.412 -176.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.631 ' O ' ' HB2' ' A' ' 6' ' ' SER . 5.8 m 28.26 -89.99 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 125.741 1.616 . . . . 0.0 114.418 171.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.631 ' HB2' ' O ' ' A' ' 5' ' ' SER . 16.8 m 81.24 71.76 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.787 0.804 . . . . 0.0 110.599 -172.223 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 6' ' ' SER . 0.1 OUTLIER -166.5 122.11 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.432 0 CA-C-O 117.955 -1.021 . . . . 0.0 109.333 178.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -35.64 89.01 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 121.433 1.924 . . . . 0.0 114.685 -169.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.815 ' O ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -83.02 -170.18 2.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.722 170.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -164.08 133.12 3.78 Favored 'General case' 0 C--O 1.257 1.482 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 171.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.538 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 25.8 p -70.98 173.93 6.85 Favored 'General case' 0 C--N 1.315 -0.909 0 O-C-N 120.559 -1.338 . . . . 0.0 111.551 -169.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.437 ' O ' HD22 ' A' ' 16' ' ' LEU . 2.7 t70 -68.9 -27.14 65.51 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 121.821 -0.55 . . . . 0.0 112.389 -177.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.611 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.3 mm -75.76 -33.43 26.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.626 0.727 . . . . 0.0 112.27 -174.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.2 m -77.09 -33.24 57.02 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.647 1.213 . . . . 0.0 109.947 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.518 ' HG2' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -48.91 -62.89 1.28 Allowed 'General case' 0 C--O 1.243 0.715 0 CA-C-O 123.412 1.577 . . . . 0.0 111.234 171.681 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.518 HD13 ' HG2' ' A' ' 15' ' ' ARG . 0.5 OUTLIER -72.13 -43.21 65.06 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 120.397 -1.439 . . . . 0.0 110.736 -168.585 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.763 ' HB2' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -74.74 -18.66 60.46 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.427 -174.131 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 mttm 60.73 73.22 0.49 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 124.346 2.022 . . . . 0.0 109.449 -171.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.838 ' HG ' ' HE2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -124.19 -169.86 2.04 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 113.896 -1.502 . . . . 0.0 109.508 -174.721 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.624 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.6 OUTLIER -88.69 -152.04 0.22 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.767 167.327 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.856 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 5.6 t 179.52 81.29 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.459 0.647 . . . . 0.0 111.342 169.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.621 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 9.9 p -39.56 -31.54 0.1 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 170.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.856 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 47.6 mttp 87.76 5.56 0.26 Allowed 'General case' 0 C--O 1.251 1.153 0 C-N-CA 124.409 1.084 . . . . 0.0 113.339 170.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 1.055 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 3.5 pt-20 -45.18 157.16 0.09 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 122.643 1.211 . . . . 0.0 111.16 169.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -138.05 146.43 52.09 Favored Pre-proline 0 C--O 1.243 0.74 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.07 -169.446 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.429 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 94.8 Cg_endo -66.52 -45.34 0.36 Allowed 'Cis proline' 0 N--CA 1.532 3.771 0 N-CA-C 115.825 1.433 . . . . 0.0 115.825 -3.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.513 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -96.01 135.45 37.76 Favored 'General case' 0 C--O 1.246 0.909 0 O-C-N 120.662 -1.273 . . . . 0.0 110.169 179.288 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 1.055 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -57.24 -172.53 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.599 1.19 . . . . 0.0 110.19 172.131 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.521 ' HB2' ' OE2' ' A' ' 24' ' ' GLU . . . -59.31 -46.74 87.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 122.385 1.088 . . . . 0.0 110.455 170.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.838 ' HE2' ' HG ' ' A' ' 19' ' ' LEU . 4.2 mmmt -46.71 -72.87 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 178.082 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.513 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 58.0 m -58.77 -39.68 81.73 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 114.646 -1.161 . . . . 0.0 112.039 -169.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.591 HD13 ' C ' ' A' ' 32' ' ' LEU . 1.4 tm? -59.91 -38.37 82.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.219 1.009 . . . . 0.0 110.081 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -70.95 -28.66 64.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.387 -175.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.474 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 37.2 m-80 -115.04 6.36 15.2 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.292 -174.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 t30 48.36 82.06 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.201 1.001 . . . . 0.0 110.92 -171.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.611 ' CE3' HG21 ' A' ' 13' ' ' ILE . 27.6 m0 -126.88 174.36 8.87 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.728 0.775 . . . . 0.0 110.407 -175.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.13 70.11 1.19 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.973 0.892 . . . . 0.0 110.83 -179.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.0 t -48.51 95.82 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.548 1.166 . . . . 0.0 111.347 171.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.85 104.82 16.9 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 123.54 1.638 . . . . 0.0 112.39 175.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.718 ' C ' ' HD3' ' A' ' 42' ' ' PRO . 31.0 m-85 -97.17 49.86 1.07 Allowed 'General case' 0 CA--C 1.512 -0.51 0 O-C-N 120.752 -1.217 . . . . 0.0 110.443 172.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.632 ' N ' ' HD3' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -121.09 54.13 3.9 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 121.909 0.862 . . . . 0.0 111.076 174.869 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.718 ' HD3' ' C ' ' A' ' 40' ' ' TYR . 70.8 Cg_exo -48.7 -69.8 0.07 OUTLIER 'Trans proline' 0 N--CA 1.528 3.546 1 C-N-CA 126.236 4.624 . . . . 0.0 114.609 178.508 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 42' ' ' PRO . 31.3 tttp . . . . . 0 C--O 1.27 2.167 0 C-N-CA 126.16 1.784 . . . . 0.0 114.15 171.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 mtp . . . . . 0 CA--C 1.511 -0.551 0 CA-C-O 121.923 0.868 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.1 tptt -53.5 -52.93 58.01 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.816 0.817 . . . . 0.0 110.817 -175.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 tp 48.58 -108.15 0.25 Allowed 'General case' 0 C--O 1.245 0.835 0 O-C-N 121.962 -0.461 . . . . 0.0 110.511 -175.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.3 mt 46.92 -89.06 0.01 OUTLIER 'General case' 0 C--O 1.245 0.85 0 O-C-N 121.334 -0.854 . . . . 0.0 112.364 -172.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.653 ' O ' ' HB3' ' A' ' 6' ' ' SER . 0.6 OUTLIER -62.64 -162.21 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.007 0.908 . . . . 0.0 111.882 178.541 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.653 ' HB3' ' O ' ' A' ' 5' ' ' SER . 10.6 t 86.89 71.33 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.912 0.863 . . . . 0.0 110.744 174.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.7 HG23 ' N ' ' A' ' 8' ' ' GLU . 5.8 tt -161.37 -141.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.481 0.657 . . . . 0.0 109.79 -174.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.7 ' N ' HG23 ' A' ' 7' ' ' ILE . 1.0 OUTLIER -25.03 108.77 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 125.581 1.552 . . . . 0.0 113.556 171.094 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.748 ' O ' ' HE3' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -31.66 144.92 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 124.87 1.268 . . . . 0.0 111.089 167.654 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 9' ' ' GLN . . . -176.82 142.98 0.42 Allowed 'General case' 0 C--O 1.252 1.232 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.886 173.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.534 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 19.8 p -63.6 174.1 1.46 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 122.6 1.191 . . . . 0.0 112.764 -168.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.628 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 1.2 t70 -62.15 -45.86 91.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.315 178.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.554 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 1.9 mm -59.05 -28.82 39.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -172.395 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.7 m -77.18 -32.04 55.81 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.661 1.22 . . . . 0.0 110.146 177.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.628 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 2.6 mtp180 -50.1 -63.86 0.99 Allowed 'General case' 0 C--O 1.242 0.707 0 CA-C-O 123.587 1.661 . . . . 0.0 111.239 170.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.84 -49.66 60.97 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 120.321 -1.487 . . . . 0.0 110.894 -168.26 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 1.007 ' HB2' HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -75.02 -19.44 60.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.643 -174.23 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 mttm 59.89 71.99 0.55 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 123.702 1.715 . . . . 0.0 109.441 -171.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.007 HD22 ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -125.71 155.17 41.35 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.383 -1.281 . . . . 0.0 109.422 -175.823 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -79.55 134.98 36.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.87 0.843 . . . . 0.0 110.835 172.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.5 t -114.02 80.39 1.38 Allowed 'General case' 0 C--O 1.244 0.777 0 O-C-N 121.868 -0.52 . . . . 0.0 111.639 -171.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.637 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 11.0 p -38.63 -29.96 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 O-C-N 121.359 -0.838 . . . . 0.0 112.397 169.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.748 ' HE3' ' O ' ' A' ' 9' ' ' GLN . 0.4 OUTLIER 88.34 7.43 0.16 Allowed 'General case' 0 C--O 1.254 1.31 0 C-N-CA 124.731 1.212 . . . . 0.0 114.064 167.792 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.89 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.3 pt-20 -46.88 154.23 0.35 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 122.638 1.209 . . . . 0.0 110.581 169.168 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.583 ' HE2' ' CD2' ' A' ' 40' ' ' TYR . 0.7 OUTLIER -138.38 150.89 68.06 Favored Pre-proline 0 C--O 1.243 0.76 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.028 -168.673 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.402 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 98.7 Cg_endo -65.64 -40.44 0.87 Allowed 'Cis proline' 0 N--CA 1.531 3.694 0 N-CA-C 115.719 1.392 . . . . 0.0 115.719 -3.332 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.55 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 6.8 mtmt -101.87 134.54 44.9 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 121.19 -0.943 . . . . 0.0 110.559 177.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.89 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -56.76 -173.76 0.01 OUTLIER 'General case' 0 C--O 1.241 0.63 0 CA-C-O 122.626 1.203 . . . . 0.0 110.175 172.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.535 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -64.73 -40.04 94.65 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 123.235 1.493 . . . . 0.0 110.113 170.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.736 ' HE2' ' CD2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -45.46 -72.67 0.05 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 114.665 1.358 . . . . 0.0 114.665 174.546 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.55 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 55.8 m -61.23 -38.77 87.82 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.777 -171.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.1 -40.31 76.76 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 122.115 0.96 . . . . 0.0 109.7 178.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 7.2 mtpm? -70.94 -27.54 63.83 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.987 -174.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.435 ' O ' ' CD1' ' A' ' 36' ' ' TRP . 45.8 m-20 -125.04 30.99 5.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.19 -176.359 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 35.93 68.09 0.26 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 124.776 2.227 . . . . 0.0 111.75 172.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.584 ' HZ3' ' HG3' ' A' ' 30' ' ' LYS . 15.8 m0 -115.88 179.04 4.1 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.75 -170.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -108.41 67.89 0.68 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.837 0.827 . . . . 0.0 111.544 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.415 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 17.4 t -45.33 97.03 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.493 1.14 . . . . 0.0 111.024 171.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.531 ' HB2' ' HB3' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -100.34 91.58 4.78 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.567 1.175 . . . . 0.0 112.284 -174.361 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.583 ' CD2' ' HE2' ' A' ' 25' ' ' LYS . 54.3 m-85 -101.82 103.98 14.72 Favored 'General case' 0 C--O 1.246 0.899 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 168.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.711 ' H ' ' HD2' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -151.2 -57.33 0.02 OUTLIER Pre-proline 0 C--N 1.32 -0.695 0 CA-C-O 122.035 0.922 . . . . 0.0 113.293 -171.535 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.711 ' HD2' ' H ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -33.65 -75.77 0.03 OUTLIER 'Trans proline' 0 N--CA 1.528 3.558 1 C-N-CA 126.637 4.891 . . . . 0.0 115.201 -176.829 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.225 0 CA-C-O 121.876 0.846 . . . . 0.0 110.827 -172.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ptt? . . . . . 0 CA--C 1.511 -0.532 0 CA-C-O 121.703 0.763 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -110.61 -56.16 2.38 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.819 0.818 . . . . 0.0 111.294 -172.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.439 ' O ' HD12 ' A' ' 4' ' ' LEU . 0.6 OUTLIER 57.15 61.17 2.65 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.132 0.968 . . . . 0.0 110.714 -172.286 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.439 HD12 ' O ' ' A' ' 3' ' ' LEU . 3.9 mp -129.08 -162.5 1.2 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.525 0.679 . . . . 0.0 110.635 175.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.0 p -91.58 24.8 2.9 Favored 'General case' 0 C--O 1.243 0.716 0 O-C-N 121.757 -0.589 . . . . 0.0 111.516 170.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.22 171.15 12.73 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.963 0.887 . . . . 0.0 111.001 172.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.521 ' CG2' ' N ' ' A' ' 8' ' ' GLU . 0.7 OUTLIER 148.78 164.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 C-N-CA 126.107 1.763 . . . . 0.0 108.992 -170.742 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.521 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -34.27 87.1 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 122.529 1.157 . . . . 0.0 112.218 169.428 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -83.97 169.79 14.64 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 123.116 1.436 . . . . 0.0 113.297 -170.497 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.7 125.82 9.94 Favored 'General case' 0 C--O 1.26 1.637 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.004 170.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.872 ' HA ' ' HB3' ' A' ' 40' ' ' TYR . 23.4 p -61.93 175.31 0.69 Allowed 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 120.957 1.708 . . . . 0.0 112.134 -168.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -57.28 -45.33 84.19 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.432 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.58 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.5 mm -61.78 -32.8 55.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -171.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.8 m -76.55 -32.5 58.23 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 122.286 1.041 . . . . 0.0 110.054 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.814 ' HG2' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -49.97 -63.19 1.19 Allowed 'General case' 0 C--O 1.244 0.779 0 CA-C-O 123.415 1.579 . . . . 0.0 111.13 171.274 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.814 ' N ' ' HG2' ' A' ' 15' ' ' ARG . 31.8 mt -66.44 -52.01 50.82 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 120.271 -1.518 . . . . 0.0 110.719 -168.1 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.581 ' HB2' HD22 ' A' ' 19' ' ' LEU . 5.6 mmtm -75.28 -17.41 60.3 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.544 -172.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp 61.35 72.04 0.53 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 123.816 1.77 . . . . 0.0 109.722 -172.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.862 HD23 ' CG ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -125.6 172.39 9.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.157 -172.705 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' H ' ' HG3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.25 151.64 22.51 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.946 172.195 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.9 t -136.09 78.08 1.69 Allowed 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.688 0.756 . . . . 0.0 112.951 -172.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.553 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 8.4 p -44.97 -19.57 0.03 OUTLIER 'General case' 0 C--O 1.249 1.04 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 169.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.553 ' HB2' ' O ' ' A' ' 22' ' ' SER . 0.6 OUTLIER 77.39 -2.61 2.57 Favored 'General case' 0 C--O 1.254 1.301 0 O-C-N 120.671 -1.268 . . . . 0.0 114.389 174.891 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 1.065 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 3.7 pt-20 -44.18 152.84 0.17 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 119.487 1.04 . . . . 0.0 110.331 170.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HE3' ' O ' ' A' ' 23' ' ' LYS . 3.3 mttt -137.03 155.17 76.33 Favored Pre-proline 0 C--O 1.244 0.768 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.023 -168.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.477 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 89.0 Cg_endo -64.98 -36.96 1.43 Allowed 'Cis proline' 0 N--CA 1.531 3.701 0 N-CA-C 115.842 1.439 . . . . 0.0 115.842 -3.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HG2' ' HG2' ' A' ' 26' ' ' PRO . 0.1 OUTLIER -104.82 137.45 42.58 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.435 -0.791 . . . . 0.0 110.782 174.161 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 1.065 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.9 p -56.45 -173.49 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.557 1.17 . . . . 0.0 110.787 171.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.637 ' HB2' ' OE2' ' A' ' 24' ' ' GLU . . . -60.08 -43.37 95.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 122.759 1.266 . . . . 0.0 109.646 170.06 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.862 ' CG ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -48.28 -69.89 0.11 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 179.717 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.472 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 69.9 m -61.39 -39.39 90.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.607 -172.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.565 HD22 ' O ' ' A' ' 32' ' ' LEU . 1.4 tm? -58.95 -36.2 74.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 122.31 1.052 . . . . 0.0 110.234 178.132 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.637 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 18.1 mmtt -70.85 -30.45 66.86 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.213 1.006 . . . . 0.0 111.075 -174.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.489 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 13.4 m-80 -116.43 7.46 13.83 Favored 'General case' 0 C--O 1.247 0.941 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.924 -174.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.4 t30 49.32 85.27 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.454 -0.779 . . . . 0.0 111.21 -171.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.58 ' CE3' HG21 ' A' ' 13' ' ' ILE . 25.0 m0 -130.34 177.12 7.57 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.918 0.866 . . . . 0.0 110.715 -173.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.47 65.6 0.68 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.718 0.771 . . . . 0.0 110.844 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.7 t -38.67 95.01 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.531 1.158 . . . . 0.0 111.919 171.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -109.78 70.32 0.72 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.172 0.986 . . . . 0.0 112.427 -172.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.872 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -114.4 54.36 0.77 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 122.518 1.152 . . . . 0.0 109.587 169.019 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.5 163.79 16.24 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-O 122.27 1.033 . . . . 0.0 111.575 -171.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.417 ' HB2' ' H ' ' A' ' 43' ' ' LYS . 12.1 Cg_endo -84.72 -125.67 0.01 OUTLIER 'Trans proline' 0 N--CA 1.534 3.896 1 C-N-CA 126.653 4.902 . . . . 0.0 114.311 178.164 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.417 ' H ' ' HB2' ' A' ' 42' ' ' PRO . 9.4 pttm . . . . . 0 C--O 1.271 2.196 0 O-C-N 120.728 -1.232 . . . . 0.0 110.84 172.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 mtt . . . . . 0 CA--C 1.511 -0.539 0 CA-C-O 121.732 0.777 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -139.48 39.03 2.06 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.737 0.779 . . . . 0.0 110.928 174.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.5 mp -122.46 57.9 1.07 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.507 1.146 . . . . 0.0 110.718 175.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 mp -110.34 103.51 12.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.728 0.775 . . . . 0.0 111.045 175.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.84 160.96 22.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.612 0.72 . . . . 0.0 110.795 172.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.85 -160.39 0.11 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.49 0.662 . . . . 0.0 110.933 -172.309 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.535 HG23 ' O ' ' A' ' 7' ' ' ILE . 0.5 OUTLIER -95.42 19.65 1.3 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.725 0 CA-C-O 121.204 0.526 . . . . 0.0 112.118 172.639 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -83.9 0.01 OUTLIER 'General case' 0 C--O 1.247 0.947 0 O-C-N 121.567 -0.708 . . . . 0.0 110.742 176.28 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.562 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -79.69 128.68 33.7 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.95 1.357 . . . . 0.0 110.555 175.222 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 9' ' ' GLN . . . 149.53 114.6 0.0 OUTLIER 'General case' 0 C--O 1.257 1.452 0 C-N-CA 126.107 1.763 . . . . 0.0 107.792 -167.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.3 p -63.33 177.2 0.67 Allowed 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 120.811 1.641 . . . . 0.0 112.399 -165.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.612 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -60.56 -47.02 88.04 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.821 0.82 . . . . 0.0 110.906 179.453 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.574 HG21 ' CE3' ' A' ' 36' ' ' TRP . 11.6 mm -62.12 -25.08 36.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.73 0.776 . . . . 0.0 112.572 -171.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.6 m -78.47 -33.57 48.2 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.765 1.269 . . . . 0.0 110.47 176.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.612 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 4.1 mtt-85 -51.41 -64.47 0.8 Allowed 'General case' 0 C--O 1.242 0.678 0 CA-C-O 123.11 1.433 . . . . 0.0 111.101 171.484 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.63 -47.65 69.01 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.988 1.375 . . . . 0.0 110.23 -168.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 1.101 ' HE2' ' CH2' ' A' ' 36' ' ' TRP . 8.4 mtpp -77.32 -19.97 55.6 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.892 -172.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HZ2' ' HG2' ' A' ' 18' ' ' LYS . 3.9 mttp 60.19 72.56 0.52 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 124.16 1.933 . . . . 0.0 108.95 -170.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.733 ' HG ' ' HE2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -123.54 154.59 39.0 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.551 -172.312 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.02 134.15 35.06 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.466 0.65 . . . . 0.0 110.347 171.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.549 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 3.2 t -112.37 84.99 2.07 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.157 0.503 . . . . 0.0 110.958 -171.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.648 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.3 p -38.13 -30.15 0.03 OUTLIER 'General case' 0 C--O 1.244 0.792 0 O-C-N 121.682 -0.636 . . . . 0.0 112.516 170.214 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.648 ' HB2' ' O ' ' A' ' 22' ' ' SER . 11.4 mttm 84.1 77.21 0.02 OUTLIER 'General case' 0 C--O 1.271 2.235 0 O-C-N 121.143 -0.973 . . . . 0.0 111.884 167.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 1.056 ' C ' ' HD3' ' A' ' 25' ' ' LYS . 1.1 pt-20 -139.49 158.84 43.44 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 118.2 -2.813 . . . . 0.0 110.125 -173.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 1.056 ' HD3' ' C ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -120.52 136.55 25.39 Favored Pre-proline 0 C--O 1.24 0.59 0 CA-C-O 121.761 0.791 . . . . 0.0 112.404 -167.692 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -66.97 -50.33 0.18 OUTLIER 'Cis proline' 0 N--CA 1.534 3.859 0 N-CA-C 115.914 1.467 . . . . 0.0 115.914 -3.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.923 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -101.97 145.32 29.43 Favored 'General case' 0 C--O 1.255 1.354 0 O-C-N 120.437 -1.414 . . . . 0.0 110.065 -172.266 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.967 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.4 p -55.11 -176.01 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 123.221 1.486 . . . . 0.0 109.295 170.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.503 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -56.76 -41.87 78.36 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 123.243 1.497 . . . . 0.0 109.848 168.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.733 ' HE2' ' HG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -49.38 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 178.576 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.923 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 59.9 m -59.05 -37.87 78.05 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.092 -171.366 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.408 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 7.1 tt -61.1 -39.16 88.89 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.079 0.942 . . . . 0.0 109.834 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -65.61 -31.52 72.6 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 123.233 1.492 . . . . 0.0 110.27 -177.759 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.522 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . 2.5 m120 -113.17 2.97 15.82 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-N 114.826 -1.079 . . . . 0.0 113.894 -169.271 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.4 t30 48.55 77.53 0.1 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.597 1.189 . . . . 0.0 110.381 -171.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 1.101 ' CH2' ' HE2' ' A' ' 17' ' ' LYS . 27.3 m0 -124.23 172.87 8.73 Favored 'General case' 0 C--O 1.245 0.818 0 C-N-CA 123.927 0.891 . . . . 0.0 110.273 -176.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -103.49 64.05 0.81 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.813 0.816 . . . . 0.0 110.592 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.518 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 15.6 t -42.59 95.95 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.939 0.875 . . . . 0.0 111.88 172.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.13 111.38 23.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 124.455 2.074 . . . . 0.0 112.707 175.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -96.91 -30.57 13.04 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 120.113 -1.617 . . . . 0.0 110.359 176.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.6 m 57.09 65.1 3.95 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-O 121.616 0.722 . . . . 0.0 111.297 -175.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -62.1 -57.75 0.47 Allowed 'Trans proline' 0 N--CA 1.53 3.667 1 C-N-CA 125.877 4.385 . . . . 0.0 113.479 176.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? . . . . . 0 C--O 1.27 2.164 0 CA-C-O 122.163 0.982 . . . . 0.0 111.17 171.748 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.527 0 CA-C-O 121.72 0.772 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.3 tttp 64.97 93.22 0.07 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.638 0.732 . . . . 0.0 111.106 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER 71.54 132.9 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.816 1.293 . . . . 0.0 111.603 172.077 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.84 107.96 16.11 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 121.793 0.806 . . . . 0.0 111.104 -176.402 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.48 -176.74 0.07 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.718 0.77 . . . . 0.0 110.969 -174.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 p -120.24 101.44 7.82 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.842 0.829 . . . . 0.0 111.339 -172.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 155.91 138.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.25 1.119 0 C-N-CA 124.203 1.001 . . . . 0.0 109.076 -172.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -166.46 125.54 1.52 Allowed 'General case' 0 C--N 1.316 -0.855 0 O-C-N 121.056 -1.028 . . . . 0.0 111.011 -171.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -47.31 154.43 0.41 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 122.181 0.991 . . . . 0.0 111.696 -176.284 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 9' ' ' GLN . . . -178.87 139.44 0.16 Allowed 'General case' 0 C--O 1.255 1.372 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.182 172.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.535 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 20.0 p -74.42 173.28 10.53 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 120.662 -1.274 . . . . 0.0 111.926 -170.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.474 ' HB2' ' HB3' ' A' ' 39' ' ' ARG . 1.3 t70 -70.11 -34.9 73.69 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 121.645 -0.659 . . . . 0.0 112.197 -178.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.602 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.3 mm -66.2 -31.53 54.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 O-C-N 121.593 -0.692 . . . . 0.0 112.76 -175.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.5 m -78.49 -33.08 48.42 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.67 1.224 . . . . 0.0 110.49 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.98 -63.6 1.08 Allowed 'General case' 0 C--O 1.242 0.669 0 CA-C-O 123.098 1.427 . . . . 0.0 111.115 171.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.6 mt -64.8 -52.96 54.03 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.752 1.263 . . . . 0.0 110.642 -169.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.736 ' HB2' HD22 ' A' ' 19' ' ' LEU . 6.7 mmmt -74.16 -19.89 60.41 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.366 -173.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp 58.97 71.93 0.56 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 123.907 1.813 . . . . 0.0 109.553 -171.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.763 ' CG ' ' HE2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -122.07 -177.6 3.63 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.22 -1.355 . . . . 0.0 110.603 -172.661 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' H ' ' HG2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.7 147.04 24.7 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.176 172.475 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.507 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 3.8 t -136.36 70.72 1.41 Allowed 'General case' 0 C--O 1.243 0.735 0 O-C-N 121.699 -0.626 . . . . 0.0 112.045 -175.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.645 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 5.4 p -39.28 -24.79 0.01 OUTLIER 'General case' 0 C--O 1.245 0.859 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 170.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.645 ' HB2' ' O ' ' A' ' 22' ' ' SER . 9.9 mttt 86.83 4.7 0.38 Allowed 'General case' 0 C--O 1.254 1.294 0 C-N-CA 124.544 1.138 . . . . 0.0 113.933 169.502 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 1.09 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.9 pt-20 -45.3 157.93 0.08 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 122.586 1.184 . . . . 0.0 111.307 170.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 11.2 mtmm -138.26 144.73 44.31 Favored Pre-proline 0 C--O 1.244 0.804 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.257 -169.325 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.401 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 95.1 Cg_endo -66.87 -47.08 0.27 Allowed 'Cis proline' 0 N--CA 1.531 3.714 0 N-CA-C 115.621 1.354 . . . . 0.0 115.621 -3.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.515 ' HD3' ' H ' ' A' ' 38' ' ' CYS . 7.1 mttp -95.1 131.89 40.6 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 120.654 -1.279 . . . . 0.0 110.137 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 1.09 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -55.79 -176.53 0.01 OUTLIER 'General case' 0 C--O 1.239 0.531 0 CA-C-O 122.803 1.287 . . . . 0.0 110.192 173.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.684 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -62.52 -40.79 97.9 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 123.151 1.453 . . . . 0.0 109.775 170.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.763 ' HE2' ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -45.29 -72.89 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 175.814 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.462 ' HA ' ' HB2' ' A' ' 36' ' ' TRP . 60.8 m -59.32 -43.05 92.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.485 -170.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.404 HD22 ' O ' ' A' ' 32' ' ' LEU . 2.1 tm? -59.93 -34.37 73.14 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 122.131 0.967 . . . . 0.0 109.799 -177.197 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.684 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 10.5 mttm -77.0 -26.53 53.96 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.056 0.931 . . . . 0.0 111.881 -174.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.462 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 7.0 m120 -112.81 8.06 18.66 Favored 'General case' 0 C--O 1.246 0.891 0 C-N-CA 123.067 0.547 . . . . 0.0 112.06 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 47.9 83.66 0.03 OUTLIER 'General case' 0 CA--C 1.506 -0.724 0 CA-C-O 122.41 1.1 . . . . 0.0 111.772 -171.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.602 ' CE3' HG21 ' A' ' 13' ' ' ILE . 32.5 m0 -128.68 176.0 8.14 Favored 'General case' 0 C--O 1.246 0.898 0 O-C-N 121.221 -0.925 . . . . 0.0 110.304 -177.21 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.34 65.78 0.64 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.063 0.935 . . . . 0.0 110.595 -177.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.515 ' H ' ' HD3' ' A' ' 27' ' ' LYS . 19.7 t -38.2 104.21 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.889 1.328 . . . . 0.0 111.835 174.092 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.474 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -97.66 94.69 7.11 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 123.318 1.532 . . . . 0.0 112.191 179.21 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.535 ' CE1' ' HB3' ' A' ' 11' ' ' CYS . 10.6 m-85 -98.73 13.57 31.76 Favored 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.084 -1.01 . . . . 0.0 110.754 169.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -77.96 146.31 71.56 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-O 121.969 0.89 . . . . 0.0 111.479 -170.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -81.78 -18.95 7.58 Favored 'Trans proline' 0 N--CA 1.53 3.631 1 C-N-CA 126.34 4.694 . . . . 0.0 115.902 177.278 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.3 mttp . . . . . 0 C--O 1.27 2.138 0 CA-C-O 122.08 0.943 . . . . 0.0 110.915 -177.26 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.528 0 CA-C-O 121.801 0.81 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.05 157.21 18.42 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.642 0.734 . . . . 0.0 110.989 177.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.2 mp -94.11 20.11 8.38 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 121.145 0.497 . . . . 0.0 112.031 176.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 4' ' ' LEU . 3.5 pp -163.23 136.04 5.48 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.968 0.889 . . . . 0.0 110.851 -173.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 p -169.3 46.79 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.883 0.849 . . . . 0.0 111.01 -172.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.68 ' O ' HG23 ' A' ' 7' ' ' ILE . 0.3 OUTLIER 79.34 -174.17 0.06 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.118 0.961 . . . . 0.0 111.579 172.058 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.68 HG23 ' O ' ' A' ' 6' ' ' SER . 0.6 OUTLIER 152.67 136.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.249 1.033 0 C-N-CA 125.51 1.524 . . . . 0.0 108.293 -171.452 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.24 -96.64 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.841 0 O-C-N 121.263 -0.898 . . . . 0.0 110.977 -171.3 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.596 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -77.24 -163.93 0.42 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.686 0.755 . . . . 0.0 112.778 -170.318 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 9' ' ' GLN . . . 89.76 140.89 0.04 OUTLIER 'General case' 0 C--O 1.251 1.132 0 C-N-CA 124.949 1.299 . . . . 0.0 108.213 -169.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 39' ' ' ARG . 20.2 p -76.77 171.8 14.13 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 124.158 1.933 . . . . 0.0 114.222 -166.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.654 ' HB2' ' HB3' ' A' ' 39' ' ' ARG . 2.3 t70 -71.39 -36.04 71.27 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 114.574 -1.194 . . . . 0.0 112.179 -178.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.507 HG21 ' CE3' ' A' ' 36' ' ' TRP . 2.7 mm -59.33 -32.96 49.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 O-C-N 121.346 -0.846 . . . . 0.0 112.746 178.398 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.836 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 7.1 m -79.65 -36.62 37.55 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.146 0.498 . . . . 0.0 111.074 -173.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.65 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -54.89 -58.18 8.62 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-O 121.796 0.808 . . . . 0.0 111.802 170.888 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.26 -54.62 41.76 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-O 122.876 1.322 . . . . 0.0 110.184 -170.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.919 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -76.45 -20.9 56.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.04 -173.826 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.6 mttt 58.7 72.47 0.53 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 123.325 1.536 . . . . 0.0 109.284 -170.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.919 ' CD2' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -127.49 -179.49 4.94 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.134 -179.039 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -88.73 137.57 32.2 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 121.6 -0.688 . . . . 0.0 110.992 -174.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.836 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 20.8 t -143.0 77.14 1.56 Allowed 'General case' 0 C--O 1.249 1.071 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -172.328 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.63 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 5.9 p -43.44 -22.58 0.04 OUTLIER 'General case' 0 C--O 1.249 1.077 0 O-C-N 120.806 -1.184 . . . . 0.0 112.764 164.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 22' ' ' SER . 0.0 OUTLIER 68.81 30.23 4.84 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 122.951 1.358 . . . . 0.0 111.592 178.542 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.893 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.5 pt-20 -57.91 161.77 3.71 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 120.653 -1.28 . . . . 0.0 110.758 163.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.689 ' HG2' ' CE2' ' A' ' 40' ' ' TYR . 27.4 mtmt -135.32 154.26 78.55 Favored Pre-proline 0 C--O 1.243 0.728 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.235 -168.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.41 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 85.3 Cg_endo -65.19 -41.67 0.7 Allowed 'Cis proline' 0 N--CA 1.532 3.745 0 N-CA-C 115.436 1.283 . . . . 0.0 115.436 -3.449 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.937 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -106.33 145.08 32.11 Favored 'General case' 0 C--O 1.252 1.191 0 O-C-N 121.007 -1.058 . . . . 0.0 109.065 172.311 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.893 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.1 p -53.53 -178.29 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 123.068 1.413 . . . . 0.0 109.528 170.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.502 ' HB2' ' OE2' ' A' ' 24' ' ' GLU . . . -56.17 -43.72 78.63 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.454 1.121 . . . . 0.0 109.481 169.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.62 ' HD3' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -73.61 -36.9 65.56 Favored 'General case' 0 C--O 1.28 2.705 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -168.595 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.55 ' HB2' ' HB2' ' A' ' 27' ' ' LYS . 74.4 m -65.86 -39.47 90.75 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 122.765 2.53 . . . . 0.0 108.615 170.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.937 ' HB2' ' HD2' ' A' ' 27' ' ' LYS . 5.5 tt -56.22 -37.02 69.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.081 0.943 . . . . 0.0 110.287 177.386 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.98 -32.37 69.19 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.164 0.983 . . . . 0.0 110.692 -172.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.504 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 11.9 m-80 -112.02 3.91 17.74 Favored 'General case' 0 C--O 1.248 1.024 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.193 -173.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 52.87 82.65 0.07 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.387 1.089 . . . . 0.0 110.077 -171.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.507 ' CE3' HG21 ' A' ' 13' ' ' ILE . 22.6 m0 -127.06 173.09 9.95 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.816 0.817 . . . . 0.0 110.682 -175.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.22 60.99 0.72 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.367 0.604 . . . . 0.0 109.961 -177.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.43 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 23.8 t -39.45 105.89 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 123.316 1.531 . . . . 0.0 110.523 176.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.654 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 6.4 ttt180 -95.11 154.44 17.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.902 175.099 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.689 ' CE2' ' HG2' ' A' ' 25' ' ' LYS . 2.4 m-30 -137.02 20.16 3.01 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 123.684 0.794 . . . . 0.0 111.161 -172.566 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.878 ' N ' ' HD3' ' A' ' 42' ' ' PRO . 1.2 p 67.21 34.07 0.11 Allowed Pre-proline 0 C--N 1.319 -0.719 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -173.115 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.878 ' HD3' ' N ' ' A' ' 41' ' ' SER . 37.6 Cg_exo -63.25 -30.65 74.16 Favored 'Trans proline' 0 N--CA 1.533 3.849 1 C-N-CA 126.398 4.732 . . . . 0.0 114.565 175.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp . . . . . 0 C--O 1.27 2.141 0 CA-C-O 122.111 0.958 . . . . 0.0 111.393 -172.397 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.511 0 CA-C-O 121.657 0.741 . . . . 0.0 110.793 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.49 54.64 0.72 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.939 0.876 . . . . 0.0 110.777 172.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -49.58 122.93 6.9 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.433 1.111 . . . . 0.0 111.307 -179.162 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.51 -53.41 4.21 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.839 0.828 . . . . 0.0 110.866 174.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 p 74.06 32.91 1.0 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.31 0.576 . . . . 0.0 111.841 171.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.461 ' O ' HG22 ' A' ' 7' ' ' ILE . 53.8 p -134.09 25.32 3.9 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 172.186 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.505 HD13 ' N ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER 121.83 146.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.252 1.236 0 C-N-CA 126.258 1.823 . . . . 0.0 108.056 168.733 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.505 ' N ' HD13 ' A' ' 7' ' ' ILE . 0.7 OUTLIER -125.76 103.38 7.78 Favored 'General case' 0 C--N 1.316 -0.891 0 O-C-N 120.775 -1.203 . . . . 0.0 110.428 171.535 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.544 ' O ' ' HE2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -46.83 129.83 11.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.015 0.912 . . . . 0.0 111.256 -173.276 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -167.31 146.12 5.0 Favored 'General case' 0 C--O 1.248 1.008 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.194 172.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.67 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 27.6 p -75.63 175.26 8.76 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 121.02 -1.05 . . . . 0.0 111.881 -170.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.767 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 3.4 t70 -60.22 -40.43 90.12 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.111 0.958 . . . . 0.0 110.945 176.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.583 HG21 ' CE3' ' A' ' 36' ' ' TRP . 2.0 mm -66.64 -29.88 47.91 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 O-C-N 121.611 -0.68 . . . . 0.0 112.624 -172.223 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.7 m -78.86 -34.19 45.23 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.367 1.08 . . . . 0.0 110.658 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.767 ' HG3' ' HA ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -50.85 -63.33 1.16 Allowed 'General case' 0 C--O 1.242 0.702 0 CA-C-O 123.168 1.461 . . . . 0.0 110.932 171.163 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.504 HD13 ' O ' ' A' ' 12' ' ' ASP . 4.0 mp -65.55 -50.56 64.72 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 120.712 -1.243 . . . . 0.0 110.578 -169.008 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.811 ' CB ' HD22 ' A' ' 19' ' ' LEU . 5.4 mmtm -76.63 -19.46 57.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.781 -173.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt 59.72 72.07 0.55 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 123.489 1.614 . . . . 0.0 109.489 -171.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.811 HD22 ' CB ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -122.94 178.28 5.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.547 -173.638 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -88.61 149.5 23.53 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.212 171.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 8.6 t -134.63 75.53 1.58 Allowed 'General case' 0 C--O 1.243 0.754 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -177.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.664 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 6.9 p -39.72 -22.65 0.01 OUTLIER 'General case' 0 C--O 1.245 0.855 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 170.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.664 ' HB2' ' O ' ' A' ' 22' ' ' SER . 19.7 mttt 86.43 0.56 0.6 Allowed 'General case' 0 C--O 1.251 1.182 0 C-N-CA 124.557 1.143 . . . . 0.0 113.452 170.402 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 1.047 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 4.3 pt-20 -46.22 159.29 0.08 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.917 1.341 . . . . 0.0 112.648 170.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' HG2' ' CE2' ' A' ' 40' ' ' TYR . 0.6 OUTLIER -138.61 149.35 62.18 Favored Pre-proline 0 C--O 1.244 0.791 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.81 -170.607 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.401 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 92.6 Cg_endo -65.64 -44.25 0.44 Allowed 'Cis proline' 0 N--CA 1.531 3.683 0 N-CA-C 115.527 1.318 . . . . 0.0 115.527 -3.362 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.488 ' HB2' ' HB2' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -96.07 140.21 31.12 Favored 'General case' 0 C--O 1.245 0.853 0 O-C-N 120.734 -1.229 . . . . 0.0 110.091 177.232 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 1.047 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 2.0 p -58.22 -173.71 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.52 1.152 . . . . 0.0 110.433 171.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.657 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -61.43 -40.74 95.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.742 1.258 . . . . 0.0 110.13 170.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.75 ' HE2' ' CD2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -48.13 -73.64 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 176.654 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.488 ' HB2' ' HB2' ' A' ' 27' ' ' LYS . 64.9 m -59.89 -38.22 81.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.36 -171.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -61.15 -37.97 84.75 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 122.04 0.924 . . . . 0.0 109.978 179.223 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.657 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 3.1 mttt -66.57 -30.54 70.86 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 123.229 1.49 . . . . 0.0 110.425 -178.401 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.535 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . 2.3 m120 -115.61 8.67 15.12 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 124.159 0.984 . . . . 0.0 113.389 -169.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 40.16 79.27 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 122.496 1.141 . . . . 0.0 111.433 -170.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.628 ' HZ3' ' HG3' ' A' ' 30' ' ' LYS . 21.0 m0 -122.49 177.31 5.47 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 124.108 0.963 . . . . 0.0 110.458 -173.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.67 63.22 0.72 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.207 1.003 . . . . 0.0 111.037 -178.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.427 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 10.2 t -45.17 108.2 0.12 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 123.056 1.407 . . . . 0.0 112.067 174.269 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.498 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 0.4 OUTLIER -96.64 147.33 24.0 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.436 167.605 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.569 ' O ' ' HB3' ' A' ' 41' ' ' SER . 3.4 m-30 -121.99 -32.57 3.7 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 120.841 -1.162 . . . . 0.0 112.094 171.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.972 ' HB2' ' HD2' ' A' ' 42' ' ' PRO . 96.4 p 157.89 -177.7 0.01 OUTLIER Pre-proline 0 C--N 1.318 -0.8 0 C-N-CA 124.856 1.262 . . . . 0.0 110.174 -169.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.972 ' HD2' ' HB2' ' A' ' 41' ' ' SER . 9.8 Cg_exo -38.34 -34.04 0.34 Allowed 'Trans proline' 0 N--CA 1.53 3.636 1 C-N-CA 126.295 4.663 . . . . 0.0 114.662 176.918 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.138 0 CA-C-O 122.077 0.942 . . . . 0.0 110.974 171.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.401 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 6.1 tpt . . . . . 0 CA--C 1.512 -0.483 0 CA-C-O 121.637 0.732 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 1' ' ' MET . 9.4 tppt? 90.37 -37.78 0.02 OUTLIER 'General case' 0 C--O 1.244 0.81 0 C-N-CA 124.721 1.209 . . . . 0.0 111.637 172.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.716 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -131.49 102.8 6.08 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.5 -0.75 . . . . 0.0 111.415 -172.486 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.708 HD23 ' C ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER 161.87 -42.03 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 125.2 1.4 . . . . 0.0 109.824 171.214 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.485 ' HB2' HD23 ' A' ' 4' ' ' LEU . 44.9 t -171.73 -75.41 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.919 0.866 . . . . 0.0 111.076 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 m 70.82 161.16 0.22 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.175 0.512 . . . . 0.0 111.041 175.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 172.36 -15.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -171.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.88 93.29 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 122.59 1.185 . . . . 0.0 111.178 172.17 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -69.06 145.48 53.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.86 173.827 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 9' ' ' GLN . . . -177.72 147.91 0.52 Allowed 'General case' 0 C--O 1.249 1.058 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.373 173.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 39' ' ' ARG . 23.0 p -74.55 170.95 14.71 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 122.592 1.187 . . . . 0.0 112.496 -171.309 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -61.24 -53.08 61.34 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.182 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.735 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 1.4 mm -53.01 -28.76 14.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -172.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.511 ' SG ' HD12 ' A' ' 19' ' ' LEU . 5.5 m -79.36 -36.94 38.53 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.653 0.74 . . . . 0.0 110.883 -179.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.85 -64.05 0.94 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 123.468 1.604 . . . . 0.0 111.723 172.282 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mp -68.9 -46.37 68.52 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 120.356 -1.465 . . . . 0.0 110.424 -169.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 1.011 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 4.4 mttt -76.31 -16.94 59.66 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.506 -173.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 57.16 71.82 0.55 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 123.436 1.589 . . . . 0.0 110.172 -175.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.011 ' CD2' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -133.66 -179.1 5.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.973 -179.569 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HE2' ' HB3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.77 150.2 23.06 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.964 178.043 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.763 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 5.8 t -132.58 71.76 1.48 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.274 0.559 . . . . 0.0 112.234 -177.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.613 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.2 p -39.57 -23.38 0.01 OUTLIER 'General case' 0 C--O 1.246 0.901 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 169.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.763 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 18.6 mttt 87.72 2.45 0.38 Allowed 'General case' 0 C--O 1.252 1.191 0 C-N-CA 124.616 1.166 . . . . 0.0 113.76 168.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.975 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.5 pt-20 -45.57 157.74 0.09 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 122.663 1.221 . . . . 0.0 111.908 170.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.892 ' HD3' ' CZ ' ' A' ' 40' ' ' TYR . 6.4 mmmm -138.97 155.24 73.02 Favored Pre-proline 0 C--O 1.247 0.953 0 CA-C-N 115.08 -0.963 . . . . 0.0 111.396 -171.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.798 ' HG2' ' HD3' ' A' ' 27' ' ' LYS . 91.8 Cg_endo -65.0 -38.83 1.05 Allowed 'Cis proline' 0 N--CA 1.529 3.593 0 N-CA-C 115.968 1.488 . . . . 0.0 115.968 -3.206 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.798 ' HD3' ' HG2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -101.78 141.23 34.96 Favored 'General case' 0 C--O 1.25 1.104 0 O-C-N 121.391 -0.818 . . . . 0.0 110.102 172.581 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.975 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -55.84 -176.96 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.689 1.233 . . . . 0.0 110.104 171.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.744 ' O ' ' HG2' ' A' ' 33' ' ' LYS . . . -62.62 -39.78 94.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 123.408 1.575 . . . . 0.0 109.739 170.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.875 ' CG ' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -44.66 -72.95 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 174.739 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.465 ' HA ' ' HB2' ' A' ' 36' ' ' TRP . 61.9 m -59.1 -43.48 91.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.778 0.799 . . . . 0.0 110.442 -170.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -60.11 -33.33 71.98 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.077 0.942 . . . . 0.0 110.018 -176.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.744 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 1.2 mmtt -76.92 -28.13 55.16 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.138 0.97 . . . . 0.0 111.856 -175.061 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.458 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 13.4 m-80 -111.64 11.02 21.11 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.734 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 43.81 83.07 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.407 1.099 . . . . 0.0 111.274 -172.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.569 ' CE3' HG21 ' A' ' 13' ' ' ILE . 27.9 m0 -125.29 174.61 8.01 Favored 'General case' 0 C--O 1.248 0.998 0 O-C-N 121.173 -0.955 . . . . 0.0 110.033 -176.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -107.57 63.75 0.63 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 122.277 1.036 . . . . 0.0 110.511 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.8 t -37.44 110.71 0.13 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.793 1.282 . . . . 0.0 111.264 172.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.48 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -95.91 149.6 21.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.195 -0.912 . . . . 0.0 109.911 170.66 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.892 ' CZ ' ' HD3' ' A' ' 25' ' ' LYS . 9.7 m-85 -141.03 170.36 15.88 Favored 'General case' 0 C--O 1.251 1.144 0 C-N-CA 123.569 0.748 . . . . 0.0 110.217 177.262 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.852 ' HB3' ' HD2' ' A' ' 42' ' ' PRO . 36.5 m -50.99 170.96 0.18 Allowed Pre-proline 0 C--N 1.319 -0.745 0 O-C-N 120.937 -1.102 . . . . 0.0 110.15 169.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.852 ' HD2' ' HB3' ' A' ' 41' ' ' SER . 2.5 Cg_endo -41.54 -82.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.528 3.55 1 C-N-CA 126.889 5.059 . . . . 0.0 114.8 -177.189 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt . . . . . 0 C--O 1.271 2.23 0 CA-C-O 122.02 0.914 . . . . 0.0 111.097 -173.775 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.673 0 CA-C-O 121.634 0.731 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt 46.21 33.38 1.76 Allowed 'General case' 0 C--O 1.246 0.909 0 O-C-N 121.338 -0.851 . . . . 0.0 113.188 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.434 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 1.8 pp -154.08 41.45 0.5 Allowed 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.626 -0.671 . . . . 0.0 111.544 171.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.434 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 25.2 tp 95.28 -84.92 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 126.471 1.909 . . . . 0.0 110.096 -170.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -176.6 -75.08 0.01 OUTLIER 'General case' 0 C--O 1.244 0.794 0 O-C-N 121.7 -0.625 . . . . 0.0 111.062 -176.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.92 114.39 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.108 0.956 . . . . 0.0 112.566 -177.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.637 HG23 ' H ' ' A' ' 8' ' ' GLU . 1.9 tp -169.91 -79.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 122.89 1.329 . . . . 0.0 109.974 169.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.637 ' H ' HG23 ' A' ' 7' ' ' ILE . 16.6 tt0 164.0 110.73 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 114.036 -1.438 . . . . 0.0 110.185 170.269 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.491 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -51.64 153.59 2.29 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.121 0.963 . . . . 0.0 110.579 -177.501 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 9' ' ' GLN . . . 171.92 147.29 0.04 OUTLIER 'General case' 0 C--O 1.25 1.081 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.097 -171.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.533 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 20.5 p -72.82 172.31 11.05 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 122.698 1.237 . . . . 0.0 112.733 -170.399 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.774 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 6.6 t0 -68.68 -41.26 79.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.499 -178.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.539 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.8 mm -59.73 -29.18 42.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -177.157 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.7 m -77.86 -33.16 52.27 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.939 1.352 . . . . 0.0 110.111 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.774 ' HG3' ' HA ' ' A' ' 12' ' ' ASP . 21.0 mtp180 -50.39 -63.84 1.0 Allowed 'General case' 0 C--O 1.242 0.68 0 CA-C-O 123.265 1.507 . . . . 0.0 111.091 170.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 12' ' ' ASP . 2.9 mp -65.21 -52.41 54.92 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 120.685 -1.259 . . . . 0.0 110.776 -168.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.78 ' HB2' HD22 ' A' ' 19' ' ' LEU . 5.1 mptt -75.71 -18.75 59.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.472 -173.383 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.0 mttp 59.02 74.22 0.45 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 123.892 1.806 . . . . 0.0 109.208 -171.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.78 HD22 ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -121.29 165.8 14.95 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.187 -1.369 . . . . 0.0 109.804 -178.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.758 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -87.58 135.61 33.28 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.568 0.699 . . . . 0.0 110.629 172.013 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.1 t -118.36 79.42 1.38 Allowed 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.844 -0.535 . . . . 0.0 112.392 -170.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.614 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 10.1 p -39.45 -29.71 0.05 Allowed 'General case' 0 C--O 1.243 0.74 0 O-C-N 121.425 -0.797 . . . . 0.0 112.882 168.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.614 ' HB2' ' O ' ' A' ' 22' ' ' SER . 2.9 mttp 87.88 7.9 0.18 Allowed 'General case' 0 C--O 1.255 1.384 0 C-N-CA 124.647 1.179 . . . . 0.0 113.717 169.36 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 1.014 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.5 pt-20 -46.35 156.37 0.17 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 122.783 1.277 . . . . 0.0 110.618 169.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.419 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 4.2 mttt -137.81 147.81 58.31 Favored Pre-proline 0 C--O 1.244 0.765 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.154 -168.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.419 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 97.5 Cg_endo -65.98 -42.21 0.67 Allowed 'Cis proline' 0 N--CA 1.531 3.705 0 N-CA-C 115.726 1.395 . . . . 0.0 115.726 -3.352 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.545 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -103.11 133.05 48.87 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 120.926 -1.109 . . . . 0.0 110.38 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 1.014 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -55.9 -175.49 0.01 OUTLIER 'General case' 0 C--O 1.241 0.639 0 CA-C-O 122.682 1.229 . . . . 0.0 110.205 173.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' A' ' 33' ' ' LYS . . . -58.2 -43.88 87.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.735 1.255 . . . . 0.0 109.873 170.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.53 ' HG3' ' HZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -53.1 -68.29 0.18 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 -178.162 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 55.5 m -57.22 -37.63 72.54 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.782 -0.574 . . . . 0.0 110.454 -175.054 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -59.73 -39.2 83.89 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 122.131 0.967 . . . . 0.0 110.192 179.117 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 29.9 mmtt -68.1 -31.47 71.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 123.16 1.457 . . . . 0.0 110.835 -177.091 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.546 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . 2.7 m120 -110.28 2.04 18.95 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-N 114.981 -1.008 . . . . 0.0 112.615 -170.385 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.1 t30 47.98 78.32 0.08 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.607 1.194 . . . . 0.0 110.82 -171.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.546 ' CD2' ' HB2' ' A' ' 34' ' ' ASN . 18.0 m0 -126.0 178.22 5.88 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 123.695 0.798 . . . . 0.0 110.752 -172.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.635 ' HG2' ' HD3' ' A' ' 39' ' ' ARG . 6.1 tt0 -107.1 64.75 0.64 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.075 0.94 . . . . 0.0 111.59 -178.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.2 t -45.99 98.31 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.202 1.001 . . . . 0.0 111.435 172.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.635 ' HD3' ' HG2' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -107.3 98.61 8.22 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.842 1.306 . . . . 0.0 113.635 178.001 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.61 ' O ' ' HB2' ' A' ' 41' ' ' SER . 29.5 m-85 -98.46 -33.64 10.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 121.197 -0.939 . . . . 0.0 109.392 169.226 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.61 ' HB2' ' O ' ' A' ' 40' ' ' TYR . 3.5 m 81.09 153.63 0.12 Allowed Pre-proline 0 C--N 1.319 -0.747 0 CA-C-O 121.933 0.873 . . . . 0.0 110.961 177.195 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -74.13 -33.4 5.92 Favored 'Trans proline' 0 N--CA 1.526 3.439 1 C-N-CA 126.164 4.576 . . . . 0.0 115.07 -177.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.27 2.178 0 CA-C-O 121.931 0.872 . . . . 0.0 111.018 -175.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.5 mtp . . . . . 0 CA--C 1.511 -0.544 0 CA-C-O 121.887 0.851 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? -82.76 -29.45 29.66 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.279 0.562 . . . . 0.0 111.289 172.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 17.1 tp -94.29 30.26 1.99 Allowed 'General case' 0 C--N 1.319 -0.725 0 O-C-N 121.599 -0.688 . . . . 0.0 111.589 -173.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 tp -143.03 64.6 1.35 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.932 0.872 . . . . 0.0 110.701 172.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.18 164.5 23.24 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.404 0.621 . . . . 0.0 110.517 172.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 m -54.81 166.51 0.48 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.075 0.941 . . . . 0.0 110.776 172.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.596 HG23 ' H ' ' A' ' 8' ' ' GLU . 4.2 tp -143.99 -150.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.252 1.192 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 172.023 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.596 ' H ' HG23 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -82.24 -28.88 31.62 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.34 0.59 . . . . 0.0 111.524 -171.869 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.779 ' HG2' ' HE3' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -69.56 128.23 35.78 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 167.825 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 9' ' ' GLN . . . -176.49 131.68 0.21 Allowed 'General case' 0 C--O 1.263 1.786 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 172.252 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.555 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 20.5 p -65.22 159.26 24.08 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 123.235 1.493 . . . . 0.0 113.124 -167.094 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' A' ' 16' ' ' LEU . 11.7 t70 -60.28 -32.08 70.85 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.401 -177.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.791 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -70.27 -33.21 53.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.451 0.643 . . . . 0.0 112.67 -176.459 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.595 ' HA ' HD12 ' A' ' 19' ' ' LEU . 2.5 m -82.68 -38.23 23.72 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.855 0.836 . . . . 0.0 111.453 -172.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -67.79 -59.01 3.65 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 172.112 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.498 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -48.11 -56.42 7.85 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 120.962 -1.086 . . . . 0.0 110.282 174.185 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.791 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 10.7 mmtt -78.02 -10.47 59.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.32 -176.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 mttm 58.21 29.07 17.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 123.98 1.848 . . . . 0.0 112.23 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.738 ' CD2' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -96.72 174.46 6.8 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.191 -1.368 . . . . 0.0 111.029 174.138 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mtmm -89.01 147.29 24.36 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.323 -172.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.488 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 8.5 t -124.6 94.76 4.29 Favored 'General case' 0 C--O 1.244 0.8 0 O-C-N 121.525 -0.734 . . . . 0.0 112.823 -171.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.2 p -49.99 -17.53 0.41 Allowed 'General case' 0 C--O 1.25 1.115 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 167.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.779 ' HE3' ' HG2' ' A' ' 9' ' ' GLN . 0.9 OUTLIER 63.83 -4.39 0.36 Allowed 'General case' 0 C--O 1.263 1.814 0 N-CA-C 118.061 2.615 . . . . 0.0 118.061 -178.481 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 1.074 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.6 pt-20 -43.51 160.79 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 121.481 1.946 . . . . 0.0 110.73 170.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 1.9 mtpm? -136.08 149.98 69.87 Favored Pre-proline 0 C--O 1.242 0.68 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.424 -168.489 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.412 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 95.7 Cg_endo -66.36 -43.27 0.56 Allowed 'Cis proline' 0 N--CA 1.532 3.782 0 N-CA-C 115.754 1.405 . . . . 0.0 115.754 -3.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HA ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -100.25 139.04 36.49 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 120.981 -1.074 . . . . 0.0 109.53 175.547 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 1.074 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.5 p -53.88 179.53 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.798 1.285 . . . . 0.0 109.848 171.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.428 ' N ' ' CD ' ' A' ' 24' ' ' GLU . . . -51.23 -46.36 62.24 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.963 1.363 . . . . 0.0 109.555 171.224 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.586 ' HG2' ' HZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -69.62 -50.11 47.41 Favored 'General case' 0 C--O 1.266 1.948 0 N-CA-C 116.542 2.053 . . . . 0.0 116.542 -169.731 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.454 ' HA ' ' HB2' ' A' ' 36' ' ' TRP . 67.9 m -57.91 -38.88 76.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 120.321 1.419 . . . . 0.0 108.981 179.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.499 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.7 tm? -62.02 -36.53 81.84 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.424 0.631 . . . . 0.0 110.599 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -70.46 -29.71 66.33 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 123.294 1.521 . . . . 0.0 111.313 -178.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.493 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . 28.1 m120 -107.87 -1.32 20.87 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 124.696 1.198 . . . . 0.0 112.021 -172.213 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 48.29 78.19 0.09 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 122.905 1.336 . . . . 0.0 110.846 -170.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.586 ' HZ3' ' HG2' ' A' ' 30' ' ' LYS . 15.8 m0 -123.02 178.22 5.17 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 124.281 1.032 . . . . 0.0 110.423 -172.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.74 63.95 0.62 Allowed 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.174 -0.953 . . . . 0.0 111.45 -177.277 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.423 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 20.1 t -50.19 96.71 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.494 1.14 . . . . 0.0 111.731 175.268 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.41 108.21 19.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 123.325 1.536 . . . . 0.0 114.112 173.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 11' ' ' CYS . 52.7 m-85 -95.94 -35.45 11.43 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 120.465 -1.397 . . . . 0.0 110.15 177.061 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.787 ' N ' ' HD2' ' A' ' 42' ' ' PRO . 0.9 OUTLIER 162.06 -49.45 0.0 OUTLIER Pre-proline 0 C--N 1.318 -0.768 0 CA-C-O 122.077 0.942 . . . . 0.0 110.506 -177.095 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.787 ' HD2' ' N ' ' A' ' 41' ' ' SER . 24.9 Cg_endo -55.59 -69.37 0.05 OUTLIER 'Trans proline' 0 N--CA 1.528 3.544 1 C-N-CA 126.586 4.857 . . . . 0.0 114.982 177.682 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.187 0 CA-C-O 121.901 0.858 . . . . 0.0 111.284 -171.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.1 mmm . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 121.689 0.756 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.57 30.87 6.07 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 123.07 1.414 . . . . 0.0 110.577 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 tp -141.28 169.97 16.61 Favored 'General case' 0 CA--C 1.512 -0.517 0 O-C-N 121.372 -0.83 . . . . 0.0 110.811 -173.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -165.66 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.679 0.752 . . . . 0.0 110.789 177.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.11 -77.05 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.607 0.717 . . . . 0.0 110.648 174.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.34 -162.73 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 175.354 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.573 HG22 ' O ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -177.36 96.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.254 1.299 0 O-C-N 122.094 -0.379 . . . . 0.0 111.075 172.596 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -103.01 79.04 1.71 Allowed 'General case' 0 C--N 1.317 -0.806 0 O-C-N 120.264 -1.523 . . . . 0.0 109.73 167.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.56 ' O ' ' HG3' ' A' ' 9' ' ' GLN . 9.7 pt20 -87.62 36.1 0.74 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 123.276 1.513 . . . . 0.0 114.789 -170.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.44 106.55 0.06 Allowed 'General case' 0 C--O 1.251 1.168 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.644 169.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.536 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 16.4 p -53.42 170.81 0.09 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 122.739 1.257 . . . . 0.0 112.007 -178.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -73.59 -29.07 62.17 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.929 -174.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.792 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 17.6 mm -74.19 -22.37 18.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.0 m -78.82 -37.04 41.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.179 0.99 . . . . 0.0 110.57 176.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.514 ' HG2' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -54.26 -61.86 2.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 123.148 1.451 . . . . 0.0 112.158 170.523 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.663 HD23 ' HA ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -68.64 -43.1 77.01 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 120.502 -1.374 . . . . 0.0 110.381 -169.538 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.898 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -77.92 -24.32 48.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.995 -176.665 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.735 ' C ' HD13 ' A' ' 19' ' ' LEU . 22.6 mtmm 59.1 73.31 0.49 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 123.546 1.641 . . . . 0.0 110.729 -170.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.898 ' CD2' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -127.54 -175.74 3.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 122.678 1.228 . . . . 0.0 109.78 172.662 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.9 153.73 20.41 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.861 170.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.659 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 2.0 t -126.07 80.26 1.9 Allowed 'General case' 0 C--N 1.32 -0.676 0 O-C-N 121.766 -0.584 . . . . 0.0 112.047 -178.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.62 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 4.9 p -39.94 -35.01 0.32 Allowed 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.508 -0.745 . . . . 0.0 112.65 170.204 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.659 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 10.1 mttt 84.64 76.64 0.02 OUTLIER 'General case' 0 C--O 1.269 2.114 0 C-N-CA 124.054 0.942 . . . . 0.0 111.065 169.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.958 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.6 pt-20 -132.25 167.63 19.5 Favored 'General case' 0 C--N 1.315 -0.893 0 O-C-N 118.196 -2.815 . . . . 0.0 109.438 -174.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 1.1 mttp -126.35 139.7 35.26 Favored Pre-proline 0 CA--C 1.509 -0.619 0 O-C-N 121.225 -0.922 . . . . 0.0 112.735 -168.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.61 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 87.0 Cg_endo -66.7 -47.86 0.25 Allowed 'Cis proline' 0 N--CA 1.535 3.946 0 N-CA-C 116.106 1.541 . . . . 0.0 116.106 -2.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.628 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -104.28 151.18 23.72 Favored 'General case' 0 C--O 1.255 1.359 0 O-C-N 120.672 -1.267 . . . . 0.0 109.748 -176.906 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.958 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -54.01 -175.57 0.01 OUTLIER 'General case' 0 C--O 1.248 0.978 0 CA-C-O 123.08 1.419 . . . . 0.0 109.148 169.365 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.674 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -59.02 -41.93 88.96 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 123.354 1.549 . . . . 0.0 109.658 168.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.851 ' HE2' ' HG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -48.49 -72.26 0.05 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 178.426 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.628 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 56.3 m -60.94 -39.36 89.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.47 -171.039 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.46 HD12 ' HG3' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -56.36 -40.94 75.34 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.24 1.019 . . . . 0.0 109.618 178.422 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.674 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 6.0 mttm -70.6 -30.21 66.82 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.357 1.075 . . . . 0.0 110.985 -174.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.478 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 4.6 m-20 -119.41 26.15 9.61 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.055 -174.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 40.02 66.84 0.54 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 125.306 2.479 . . . . 0.0 111.811 174.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.57 ' CE3' HG21 ' A' ' 13' ' ' ILE . 25.1 m0 -119.16 173.28 7.02 Favored 'General case' 0 C--O 1.248 0.994 0 O-C-N 120.438 -1.414 . . . . 0.0 110.228 -171.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.69 65.98 0.65 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.039 0.924 . . . . 0.0 110.783 -175.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.43 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 10.8 t -40.69 99.19 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.834 1.302 . . . . 0.0 111.375 172.182 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -96.95 105.6 17.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 124.543 2.116 . . . . 0.0 112.21 175.356 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.536 ' CE1' ' HB3' ' A' ' 11' ' ' CYS . 3.0 m-85 -98.69 46.92 0.98 Allowed 'General case' 0 C--O 1.244 0.816 0 O-C-N 120.166 -1.584 . . . . 0.0 111.457 -172.305 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.51 137.54 69.62 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-O 121.451 0.643 . . . . 0.0 110.194 -176.191 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -51.97 -63.03 0.29 Allowed 'Trans proline' 0 N--CA 1.53 3.636 1 C-N-CA 126.25 4.634 . . . . 0.0 114.475 -176.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.272 2.266 0 CA-C-O 121.86 0.838 . . . . 0.0 111.002 -178.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 tpp . . . . . 0 CA--C 1.512 -0.518 0 CA-C-O 121.826 0.822 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -89.48 107.95 19.37 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.749 0.785 . . . . 0.0 110.839 173.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.425 ' C ' HD12 ' A' ' 3' ' ' LEU . 0.7 OUTLIER -153.95 53.93 0.71 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.907 0.86 . . . . 0.0 110.965 -176.918 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' A' ' 5' ' ' SER . 3.2 tp -112.03 -138.39 0.38 Allowed 'General case' 0 C--O 1.244 0.809 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.278 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 4' ' ' LEU . 1.6 t 96.35 -68.91 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 124.329 1.052 . . . . 0.0 110.716 171.356 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -139.42 111.23 7.26 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.567 0.698 . . . . 0.0 110.981 -173.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.607 HG23 ' O ' ' A' ' 7' ' ' ILE . 3.0 tp -155.05 70.88 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-O 122.851 1.31 . . . . 0.0 111.089 174.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.21 -132.06 0.29 Allowed 'General case' 0 C--O 1.248 0.998 0 O-C-N 121.214 -0.929 . . . . 0.0 110.776 -174.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.542 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -71.99 -168.55 0.39 Allowed 'General case' 0 C--N 1.318 -0.783 0 O-C-N 120.892 -1.13 . . . . 0.0 113.443 -170.055 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 9' ' ' GLN . . . 120.18 121.84 0.0 OUTLIER 'General case' 0 C--O 1.258 1.528 0 C-N-CA 128.058 2.543 . . . . 0.0 108.464 -171.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.543 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 21.0 p -71.65 173.92 7.44 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 120.937 1.699 . . . . 0.0 110.916 -171.154 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.535 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 8.0 t70 -65.73 -48.39 72.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.534 0.683 . . . . 0.0 110.596 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.485 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.5 mm -49.23 -35.25 7.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -177.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.4 m -76.54 -35.71 58.09 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.282 1.039 . . . . 0.0 109.669 -177.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.684 ' CD ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -49.79 -59.9 3.39 Favored 'General case' 0 C--O 1.246 0.891 0 CA-C-O 122.974 1.369 . . . . 0.0 111.789 172.041 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.684 HD12 ' CD ' ' A' ' 15' ' ' ARG . 8.6 mp -68.08 -48.44 65.53 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 120.183 -1.573 . . . . 0.0 110.584 -167.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 1.011 ' HB2' HD22 ' A' ' 19' ' ' LEU . 13.7 mmmt -77.0 -17.9 58.56 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.691 -172.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.403 ' C ' HD13 ' A' ' 19' ' ' LEU . 22.6 mtmt 63.51 75.08 0.4 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 123.977 1.846 . . . . 0.0 109.281 -171.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.023 HD21 ' HE2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -129.75 168.89 15.84 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.161 -1.382 . . . . 0.0 110.121 -174.763 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 15.5 mtmt -89.14 156.86 18.54 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.478 169.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.4 t -140.35 78.44 1.66 Allowed 'General case' 0 C--O 1.246 0.879 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -173.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.6 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 6.3 p -39.17 -25.95 0.02 OUTLIER 'General case' 0 C--O 1.246 0.881 0 O-C-N 121.241 -0.912 . . . . 0.0 113.235 168.439 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.6 ' HB2' ' O ' ' A' ' 22' ' ' SER . 2.1 mttp 83.93 4.69 0.76 Allowed 'General case' 0 C--O 1.252 1.196 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 169.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 1.053 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.2 pt-20 -46.65 159.59 0.09 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.718 1.247 . . . . 0.0 111.612 171.045 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.418 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 5.7 mtpt -138.25 154.06 73.56 Favored Pre-proline 0 C--O 1.245 0.831 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.762 -170.455 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.465 ' HG2' ' HG3' ' A' ' 27' ' ' LYS . 81.6 Cg_endo -64.21 -41.04 0.7 Allowed 'Cis proline' 0 N--CA 1.529 3.608 0 N-CA-C 115.536 1.322 . . . . 0.0 115.536 -3.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.616 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -105.05 139.35 39.86 Favored 'General case' 0 C--O 1.246 0.878 0 O-C-N 121.082 -1.011 . . . . 0.0 110.203 174.394 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 1.053 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.7 p -54.28 -177.37 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.834 1.302 . . . . 0.0 109.891 171.132 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -52.56 -46.98 67.06 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.872 1.32 . . . . 0.0 109.678 170.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 1.023 ' HE2' HD21 ' A' ' 19' ' ' LEU . 9.0 tttt -68.75 -50.45 50.46 Favored 'General case' 0 C--O 1.262 1.747 0 N-CA-C 116.85 2.167 . . . . 0.0 116.85 -169.17 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.616 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 62.3 m -58.81 -38.35 78.44 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 120.331 -1.481 . . . . 0.0 109.02 177.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.728 HD23 ' O ' ' A' ' 32' ' ' LEU . 1.9 tt -60.47 -37.11 79.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.152 0.977 . . . . 0.0 110.304 177.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 18.3 mttp -70.33 -30.41 67.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.486 1.136 . . . . 0.0 111.362 -175.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.469 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 30.6 m-80 -114.86 7.7 15.78 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.922 -173.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 45.29 84.58 0.02 OUTLIER 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 122.117 0.96 . . . . 0.0 111.995 -171.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.582 ' CZ3' ' HG2' ' A' ' 30' ' ' LYS . 18.6 m0 -128.68 177.34 7.12 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.208 -0.933 . . . . 0.0 110.697 -171.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -106.94 64.16 0.64 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.18 0.99 . . . . 0.0 110.917 -179.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 20.5 t -43.46 94.83 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.511 1.148 . . . . 0.0 112.018 172.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.43 101.26 11.15 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 123.597 1.665 . . . . 0.0 113.068 -175.484 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 11' ' ' CYS . 33.9 m-85 -97.04 145.79 25.62 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 120.516 -1.365 . . . . 0.0 110.746 -174.168 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.4 t -121.45 67.71 19.74 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 121.974 0.892 . . . . 0.0 110.977 -172.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -60.47 -74.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.529 3.56 1 C-N-CA 126.249 4.632 . . . . 0.0 114.877 -177.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.271 2.184 0 CA-C-O 121.957 0.884 . . . . 0.0 111.027 -172.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.519 0 CA-C-O 121.839 0.828 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -56.58 172.4 0.24 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.735 0.778 . . . . 0.0 110.9 -177.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 3' ' ' LEU . 6.1 tp -109.32 -41.62 4.59 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.608 0.718 . . . . 0.0 111.352 -172.425 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.89 -101.39 0.18 Allowed 'General case' 0 C--O 1.245 0.842 0 O-C-N 121.759 -0.588 . . . . 0.0 110.734 -172.405 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 25.06 45.58 0.01 OUTLIER 'General case' 0 C--O 1.246 0.887 0 C-N-CA 125.665 1.586 . . . . 0.0 114.701 -174.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.427 ' C ' HG13 ' A' ' 7' ' ' ILE . 0.6 OUTLIER 67.2 166.84 0.23 Allowed 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.101 -0.999 . . . . 0.0 112.989 170.179 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.427 HG13 ' C ' ' A' ' 6' ' ' SER . 0.1 OUTLIER -179.54 92.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.259 1.583 0 CA-C-O 118.206 -0.902 . . . . 0.0 109.103 -175.244 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.13 -31.87 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 177.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.854 ' HB3' ' HG3' ' A' ' 42' ' ' PRO . 2.2 pm0 -47.81 168.18 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 124.145 1.926 . . . . 0.0 113.498 -171.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -151.56 138.26 18.82 Favored 'General case' 0 C--O 1.255 1.344 0 O-C-N 120.885 -1.134 . . . . 0.0 109.332 172.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 26.4 p -72.68 173.73 8.6 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 122.87 1.319 . . . . 0.0 113.425 -169.259 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.786 ' HB3' ' HB3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -57.88 -59.37 5.34 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.067 174.353 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.88 HG23 ' HD2' ' A' ' 17' ' ' LYS . 1.8 mm -51.4 -31.64 12.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -171.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.0 m -79.02 -33.46 44.86 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.734 1.254 . . . . 0.0 110.555 -177.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.763 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 50.2 mtp85 -51.61 -62.16 1.8 Allowed 'General case' 0 C--O 1.242 0.706 0 CA-C-O 123.037 1.399 . . . . 0.0 111.647 170.5 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.0 -50.78 64.95 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 120.608 -1.308 . . . . 0.0 110.499 -169.18 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 1.002 ' HD3' ' CD2' ' A' ' 19' ' ' LEU . 4.0 mtpp -77.0 -20.89 55.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.008 0.908 . . . . 0.0 111.911 -174.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.419 ' HE3' ' HB2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER 57.69 72.21 0.53 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 124.441 2.067 . . . . 0.0 108.949 -169.687 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.002 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -120.29 -176.86 3.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 113.692 -1.594 . . . . 0.0 110.563 -172.129 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -88.8 143.6 26.79 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.34 0.591 . . . . 0.0 111.39 173.351 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.48 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 7.7 t -134.56 77.88 1.72 Allowed 'General case' 0 C--O 1.242 0.676 0 O-C-N 121.717 -0.614 . . . . 0.0 112.507 -178.16 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.681 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 3.9 p -40.01 -29.47 0.07 Allowed 'General case' 0 C--O 1.246 0.885 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 170.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.681 ' HB2' ' O ' ' A' ' 22' ' ' SER . 35.8 mttt 86.31 79.11 0.02 OUTLIER 'General case' 0 C--O 1.273 2.334 0 C-N-CA 124.287 1.035 . . . . 0.0 111.33 170.213 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 1.009 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -141.34 167.65 21.66 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 118.05 -2.906 . . . . 0.0 110.199 -173.256 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -127.82 138.49 33.02 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-O 121.82 0.819 . . . . 0.0 112.159 -169.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -67.31 -47.97 0.25 Allowed 'Cis proline' 0 N--CA 1.536 3.99 0 N-CA-C 116.481 1.685 . . . . 0.0 116.481 -3.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.728 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -103.8 146.43 28.65 Favored 'General case' 0 C--O 1.252 1.209 0 O-C-N 120.675 -1.266 . . . . 0.0 109.647 -176.449 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 1.009 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.2 p -52.12 179.78 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 123.047 1.403 . . . . 0.0 109.356 170.256 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.06 -44.66 71.27 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 123.298 1.523 . . . . 0.0 109.344 169.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.903 ' HE2' ' HG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -67.84 -45.97 73.13 Favored 'General case' 0 C--O 1.27 2.142 0 N-CA-C 115.961 1.838 . . . . 0.0 115.961 -169.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.728 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 72.3 m -65.33 -38.06 88.99 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 120.146 -1.596 . . . . 0.0 108.51 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -38.01 73.22 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.324 1.059 . . . . 0.0 110.375 175.189 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -71.85 -27.78 63.11 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.251 -173.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.483 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 14.3 m-80 -118.88 9.14 11.88 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.291 -175.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.4 t30 47.17 83.83 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 122.092 0.949 . . . . 0.0 111.085 -171.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.637 ' CH2' ' HE2' ' A' ' 17' ' ' LYS . 22.5 m0 -127.3 172.22 10.8 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.758 0.79 . . . . 0.0 110.343 -174.18 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 29.7 tt0 -102.21 58.83 0.82 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.969 0.89 . . . . 0.0 111.044 -172.224 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.2 t -47.46 111.18 0.38 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 123.342 1.544 . . . . 0.0 111.863 -177.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.786 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -95.47 163.33 13.28 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.579 168.399 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.655 ' HB3' ' HD2' ' A' ' 42' ' ' PRO . 3.0 m-85 -134.51 126.53 29.55 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 120.409 -1.432 . . . . 0.0 111.988 -178.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.596 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.9 OUTLIER -50.81 -39.78 57.14 Favored Pre-proline 0 C--N 1.323 -0.558 0 O-C-N 121.665 -0.647 . . . . 0.0 112.568 -173.894 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.854 ' HG3' ' HB3' ' A' ' 9' ' ' GLN . 24.5 Cg_exo -63.96 -141.97 0.01 OUTLIER 'Trans proline' 0 N--CA 1.535 3.943 1 C-N-CA 126.283 4.655 . . . . 0.0 112.616 -177.177 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.271 2.202 0 CA-C-N 121.123 1.783 . . . . 0.0 111.465 -170.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 ptp . . . . . 0 CA--C 1.511 -0.53 0 CA-C-O 121.846 0.831 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -146.3 86.28 1.69 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.714 0.769 . . . . 0.0 111.047 173.593 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 73.92 79.68 0.12 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.848 0.833 . . . . 0.0 110.999 172.568 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -166.68 -46.0 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.68 0.753 . . . . 0.0 110.935 -177.913 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 74.19 157.24 0.19 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.489 0.662 . . . . 0.0 110.998 173.58 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -128.3 27.32 5.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.375 0.607 . . . . 0.0 111.77 177.63 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.492 HG22 ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER 168.08 106.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.257 1.495 0 O-C-N 121.953 -0.467 . . . . 0.0 110.372 -174.526 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.416 ' HB3' ' H ' ' A' ' 9' ' ' GLN . 26.7 mm-40 -139.78 -151.31 0.36 Allowed 'General case' 0 C--N 1.315 -0.924 0 O-C-N 120.06 -1.65 . . . . 0.0 109.474 170.608 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.817 ' O ' ' HE2' ' A' ' 23' ' ' LYS . 1.5 tt0 -86.88 176.09 7.86 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.276 0.56 . . . . 0.0 111.341 -171.792 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 9' ' ' GLN . . . 172.5 143.17 0.03 OUTLIER 'General case' 0 C--O 1.253 1.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.419 170.396 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.727 ' HA ' ' HB3' ' A' ' 40' ' ' TYR . 31.8 p -78.01 177.11 8.55 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 120.694 -1.254 . . . . 0.0 111.249 -174.117 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -58.95 -39.31 81.28 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.577 0.703 . . . . 0.0 111.056 177.827 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.498 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.0 OUTLIER -65.8 -36.86 78.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -173.828 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.617 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 10.9 m -79.57 -35.71 39.35 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.36 1.076 . . . . 0.0 110.565 -174.324 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.977 ' CG ' HD23 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -52.17 -61.8 2.04 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 122.706 1.241 . . . . 0.0 111.313 170.497 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.977 HD23 ' CG ' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -62.14 -54.23 44.04 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.914 1.34 . . . . 0.0 110.338 -169.521 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.954 ' HB3' HD21 ' A' ' 19' ' ' LEU . 5.4 mmmt -77.9 -19.5 54.61 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.803 -172.128 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt 60.5 75.05 0.42 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 123.201 1.477 . . . . 0.0 109.487 -171.028 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.954 HD21 ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -131.61 -178.13 4.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.365 179.835 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -88.66 147.32 24.59 Favored 'General case' 0 C--O 1.243 0.726 0 O-C-N 121.649 -0.657 . . . . 0.0 111.372 -178.006 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.617 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 43.4 t -145.11 87.11 1.8 Allowed 'General case' 0 C--O 1.243 0.734 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -171.92 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.554 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 39.8 p -67.59 5.19 0.86 Allowed 'General case' 0 C--O 1.253 1.288 0 N-CA-C 116.491 2.034 . . . . 0.0 116.491 171.776 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.817 ' HE2' ' O ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER 73.0 -8.17 1.34 Allowed 'General case' 0 C--O 1.257 1.457 0 N-CA-C 116.955 2.206 . . . . 0.0 116.955 169.966 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.98 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 3.0 pt-20 -41.4 153.41 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 123.378 1.561 . . . . 0.0 111.017 172.376 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.821 ' HG2' ' OH ' ' A' ' 40' ' ' TYR . 4.4 mttt -133.22 151.58 77.94 Favored Pre-proline 0 C--O 1.244 0.786 0 CA-C-N 114.661 -1.154 . . . . 0.0 112.151 -168.727 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.718 ' HG2' ' HE2' ' A' ' 27' ' ' LYS . 87.8 Cg_endo -64.6 -42.0 0.63 Allowed 'Cis proline' 0 N--CA 1.53 3.621 0 N-CA-C 115.144 1.171 . . . . 0.0 115.144 -3.426 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.718 ' HE2' ' HG2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -102.92 140.84 36.68 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.213 -0.929 . . . . 0.0 110.562 175.496 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.98 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -55.78 -175.43 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 122.639 1.209 . . . . 0.0 110.598 172.334 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.719 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -60.83 -40.21 91.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 123.168 1.461 . . . . 0.0 109.894 170.874 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.496 ' HG3' ' HZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -46.49 -72.93 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 114.644 1.349 . . . . 0.0 114.644 175.224 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.478 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 61.3 m -60.42 -40.26 90.36 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.806 -171.631 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 tt -56.6 -40.1 74.7 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.146 0.974 . . . . 0.0 109.571 179.313 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.719 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 25.9 mttp -71.27 -27.48 63.47 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.994 -174.395 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.408 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 29.9 m-80 -123.99 29.08 6.58 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -176.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 43.18 60.78 2.41 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 125.091 2.377 . . . . 0.0 113.414 171.338 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.498 ' CE3' HG21 ' A' ' 13' ' ' ILE . 25.6 m0 -114.75 172.0 7.3 Favored 'General case' 0 C--O 1.242 0.699 0 O-C-N 120.016 -1.677 . . . . 0.0 110.432 -169.856 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -105.95 62.17 0.66 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.593 0.711 . . . . 0.0 110.787 -174.669 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.4 t -43.61 97.56 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.31 1.052 . . . . 0.0 112.074 174.35 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -122.24 93.62 4.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.789 171.901 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.821 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -97.58 118.78 34.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 122.582 1.182 . . . . 0.0 110.185 172.146 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.414 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 1.3 m -88.12 107.85 18.43 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -169.179 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 41' ' ' SER . 39.6 Cg_endo -61.31 -80.75 0.01 OUTLIER 'Trans proline' 0 N--CA 1.529 3.583 1 C-N-CA 126.191 4.594 . . . . 0.0 114.621 176.49 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.18 0 CA-C-O 121.831 0.824 . . . . 0.0 111.228 -172.579 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.431 ' O ' ' C ' ' A' ' 2' ' ' LYS . 12.3 mmt . . . . . 0 C--O 1.237 0.414 0 CA-C-O 120.935 0.398 . . . . 0.0 111.784 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 1' ' ' MET . 25.6 mtpt -0.09 -71.26 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 126.34 1.856 . . . . 0.0 114.543 171.148 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.406 ' HG ' ' H ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -37.43 -55.98 1.02 Allowed 'General case' 0 C--O 1.244 0.784 0 CA-C-O 121.636 0.731 . . . . 0.0 112.406 -171.6 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tp -72.76 -45.79 56.8 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.407 -0.808 . . . . 0.0 111.044 176.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.76 -155.53 0.02 OUTLIER 'General case' 0 C--O 1.243 0.732 0 CA-C-O 121.096 0.474 . . . . 0.0 110.628 174.852 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.05 -172.55 0.14 Allowed 'General case' 0 C--N 1.319 -0.735 0 O-C-N 121.612 -0.68 . . . . 0.0 111.328 -177.047 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -174.97 -22.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 173.24 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.51 43.86 1.26 Allowed 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 122.934 1.35 . . . . 0.0 111.964 173.343 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.703 ' HG2' ' HG2' ' A' ' 23' ' ' LYS . 1.4 tt0 -89.32 136.08 33.22 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.111 168.831 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 9' ' ' GLN . . . 177.36 145.75 0.11 Allowed 'General case' 0 C--O 1.249 1.044 0 O-C-N 122.149 -0.344 . . . . 0.0 110.304 -176.109 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.798 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 30.9 p -77.2 175.04 10.05 Favored 'General case' 0 C--N 1.317 -0.829 0 O-C-N 120.953 -1.092 . . . . 0.0 111.292 -171.394 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -42.4 97.57 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.599 0.714 . . . . 0.0 110.758 177.405 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.503 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.3 mm -60.16 -34.23 56.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -173.134 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.421 ' HA ' HD22 ' A' ' 19' ' ' LEU . 99.1 m -78.85 -30.25 45.04 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 122.545 1.164 . . . . 0.0 110.485 -178.347 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.851 ' HG2' HD22 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -53.31 -59.45 4.55 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-O 122.326 1.06 . . . . 0.0 111.722 170.322 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.851 HD22 ' HG2' ' A' ' 15' ' ' ARG . 2.6 mm? -67.66 -51.99 43.29 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 120.612 -1.305 . . . . 0.0 110.903 -170.561 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.494 ' HE3' ' CZ2' ' A' ' 36' ' ' TRP . 10.3 mttt -70.12 -17.87 63.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.315 -177.903 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt 67.4 45.61 1.56 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 123.204 1.478 . . . . 0.0 113.312 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.679 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -98.67 -174.61 2.84 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.647 1.213 . . . . 0.0 109.96 170.354 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.516 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.1 OUTLIER -87.86 -151.96 0.2 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.039 170.303 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.739 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 6.2 t -174.31 89.92 0.06 Allowed 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 121.693 0.758 . . . . 0.0 113.029 170.674 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.431 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.6 p -43.5 -34.97 1.49 Allowed 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.246 -0.909 . . . . 0.0 113.245 168.617 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.739 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 9.1 mttt 88.54 12.02 0.09 Allowed 'General case' 0 C--O 1.256 1.446 0 C-N-CA 124.574 1.15 . . . . 0.0 113.459 170.91 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.865 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.5 pt-20 -46.71 150.61 0.68 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 119.639 1.108 . . . . 0.0 109.86 167.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.874 ' HG2' ' OH ' ' A' ' 40' ' ' TYR . 13.7 mttp -133.0 151.27 77.65 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-O 121.899 0.857 . . . . 0.0 112.48 -166.221 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.415 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 94.4 Cg_endo -65.82 -43.05 0.56 Allowed 'Cis proline' 0 N--CA 1.532 3.774 0 N-CA-C 115.698 1.384 . . . . 0.0 115.698 -3.478 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.66 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 11.8 mtmt -99.64 137.05 38.66 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 120.907 -1.121 . . . . 0.0 109.635 175.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.865 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -53.54 -179.64 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.887 1.327 . . . . 0.0 109.786 171.712 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -51.6 -46.26 63.49 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 123.02 1.39 . . . . 0.0 109.715 170.568 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.589 ' HG2' ' HZ3' ' A' ' 36' ' ' TRP . 2.4 tttp -67.84 -52.54 35.66 Favored 'General case' 0 C--O 1.262 1.726 0 N-CA-C 116.571 2.063 . . . . 0.0 116.571 -169.372 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.66 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 60.1 m -56.97 -41.12 77.78 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 120.385 -1.447 . . . . 0.0 108.986 177.913 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.562 ' O ' HD13 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -60.75 -36.06 77.96 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 122.147 0.975 . . . . 0.0 109.866 -178.99 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 9.5 mttp -73.8 -28.92 61.89 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.548 1.166 . . . . 0.0 111.814 -174.349 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.461 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 32.2 m-20 -111.72 4.33 18.43 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 123.676 0.79 . . . . 0.0 111.742 -175.902 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 51.16 83.5 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.204 1.002 . . . . 0.0 110.565 -173.064 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.589 ' HZ3' ' HG2' ' A' ' 30' ' ' LYS . 25.1 m0 -129.46 177.47 7.17 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.769 0.795 . . . . 0.0 110.566 -174.344 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.55 65.34 0.64 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.85 0.833 . . . . 0.0 111.264 -179.76 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.414 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 16.0 t -45.07 97.11 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.787 0.803 . . . . 0.0 111.151 171.684 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.4 86.1 2.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 122.288 1.042 . . . . 0.0 113.677 175.43 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.874 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -102.37 55.02 0.79 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 122.182 0.992 . . . . 0.0 108.867 168.715 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 p -46.57 124.18 7.51 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.13 -170.508 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -69.57 -30.85 22.47 Favored 'Trans proline' 0 N--CA 1.533 3.804 1 C-N-CA 125.812 4.341 . . . . 0.0 114.744 176.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt . . . . . 0 C--O 1.269 2.115 0 CA-C-O 122.048 0.927 . . . . 0.0 110.953 -172.619 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 mtm . . . . . 0 C--O 1.241 0.606 0 CA-C-O 121.513 0.673 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.3 mmmt -75.78 -33.12 60.16 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.639 0.733 . . . . 0.0 110.849 172.254 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.477 ' C ' HD23 ' A' ' 4' ' ' LEU . 4.4 mp -87.73 -175.16 5.06 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.752 0.787 . . . . 0.0 111.131 -177.914 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.602 HD23 ' N ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -124.66 103.82 8.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.788 0.804 . . . . 0.0 111.208 -179.03 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -137.27 140.4 41.59 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.865 0.841 . . . . 0.0 110.966 -177.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.59 96.0 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.686 0.755 . . . . 0.0 111.028 175.129 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -145.49 24.58 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 123.243 1.497 . . . . 0.0 110.457 -173.486 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.46 85.57 7.39 Favored 'General case' 0 CA--C 1.513 -0.451 0 O-C-N 120.809 -1.182 . . . . 0.0 110.533 -171.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.593 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -68.85 -156.8 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.233 1.016 . . . . 0.0 112.863 -171.84 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 9' ' ' GLN . . . 99.23 123.4 0.01 OUTLIER 'General case' 0 C--O 1.259 1.557 0 C-N-CA 125.401 1.48 . . . . 0.0 109.03 172.216 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.52 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 20.3 p -77.66 174.55 10.81 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 120.931 1.696 . . . . 0.0 111.797 -169.875 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.762 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 0.9 OUTLIER -61.94 -30.8 71.15 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.354 -0.841 . . . . 0.0 112.179 177.868 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.615 HG22 HD11 ' A' ' 19' ' ' LEU . 8.5 mm -76.1 -30.9 20.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -172.139 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.632 ' SG ' HD12 ' A' ' 19' ' ' LEU . 2.6 m -80.02 -39.29 30.24 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.422 -0.799 . . . . 0.0 110.578 -178.229 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.762 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 2.0 ptm180 -54.11 -59.08 5.13 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-O 122.515 1.15 . . . . 0.0 111.45 170.481 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.499 ' HG ' ' N ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -63.0 -52.43 63.01 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 120.279 -1.513 . . . . 0.0 109.998 -169.268 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.766 ' CB ' HD21 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -78.9 -20.44 49.4 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.079 -172.348 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt 61.04 75.36 0.41 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 123.445 1.593 . . . . 0.0 109.482 -170.295 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.065 HD13 ' HG2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -130.28 -176.91 4.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.66 -1.154 . . . . 0.0 110.307 177.543 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.522 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 1.2 ptmt -88.57 141.69 28.32 Favored 'General case' 0 C--O 1.244 0.795 0 O-C-N 121.766 -0.584 . . . . 0.0 111.21 178.509 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.518 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 7.0 t -134.78 65.87 1.55 Allowed 'General case' 0 C--O 1.242 0.674 0 CA-C-O 122.124 0.964 . . . . 0.0 112.78 -173.842 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.641 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -44.51 -12.18 0.01 OUTLIER 'General case' 0 C--O 1.253 1.266 0 O-C-N 121.087 -1.008 . . . . 0.0 113.254 168.079 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.641 ' HB2' ' O ' ' A' ' 22' ' ' SER . 20.1 mttt 84.34 -6.43 1.03 Allowed 'General case' 0 C--O 1.253 1.248 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 165.904 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 1.023 ' HG2' ' HA ' ' A' ' 28' ' ' CYS . 2.0 pm0 -42.23 158.22 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 123.386 1.565 . . . . 0.0 113.215 177.388 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 0.8 OUTLIER -134.93 156.14 78.68 Favored Pre-proline 0 C--O 1.246 0.91 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.704 -171.126 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.434 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 80.4 Cg_endo -63.04 -40.34 0.7 Allowed 'Cis proline' 0 N--CA 1.53 3.627 0 N-CA-C 115.379 1.261 . . . . 0.0 115.379 -2.62 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.904 ' HE3' ' CB ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -107.3 142.46 37.04 Favored 'General case' 0 C--O 1.251 1.152 0 O-C-N 121.291 -0.88 . . . . 0.0 110.093 173.313 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 1.023 ' HA ' ' HG2' ' A' ' 24' ' ' GLU . 1.7 p -54.02 -174.56 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.906 1.336 . . . . 0.0 110.355 170.507 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.85 -42.39 89.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 123.244 1.497 . . . . 0.0 109.657 170.281 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 1.065 ' HG2' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -46.05 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 176.093 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.863 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 58.2 m -60.75 -39.66 89.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.613 -170.737 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.84 -37.37 79.07 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 122.249 1.024 . . . . 0.0 109.914 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -71.59 -27.99 63.52 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.134 0.968 . . . . 0.0 111.3 -174.908 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.501 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 12.1 m120 -115.63 5.49 14.33 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.68 -175.135 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t30 49.82 82.61 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 122.159 0.981 . . . . 0.0 110.699 -171.281 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.837 ' CZ3' ' HE2' ' A' ' 30' ' ' LYS . 31.7 m0 -127.26 172.66 10.4 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.849 0.833 . . . . 0.0 110.211 -176.809 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -103.35 60.23 0.76 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.857 0.837 . . . . 0.0 110.566 -176.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.904 ' CB ' ' HE3' ' A' ' 27' ' ' LYS . 13.7 t -36.36 95.68 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 123.984 0.914 . . . . 0.0 112.582 172.345 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.83 106.04 17.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 125.24 2.448 . . . . 0.0 112.38 179.688 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.601 ' O ' ' HB3' ' A' ' 41' ' ' SER . 14.8 m-85 -105.27 -15.53 15.02 Favored 'General case' 0 C--O 1.243 0.725 0 O-C-N 119.541 -1.974 . . . . 0.0 113.095 -171.558 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.601 ' HB3' ' O ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER 84.39 162.17 0.11 Allowed Pre-proline 0 C--N 1.317 -0.83 0 C-N-CA 123.695 0.798 . . . . 0.0 109.975 -170.577 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.446 ' HB2' ' H ' ' A' ' 43' ' ' LYS . 76.3 Cg_exo -54.66 -98.53 0.0 OUTLIER 'Trans proline' 0 N--CA 1.53 3.668 1 C-N-CA 126.099 4.533 . . . . 0.0 115.119 -176.378 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.446 ' H ' ' HB2' ' A' ' 42' ' ' PRO . 27.7 mttp . . . . . 0 C--O 1.27 2.136 0 O-C-N 120.998 -1.064 . . . . 0.0 110.897 -170.279 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.8 mtp . . . . . 0 CA--C 1.51 -0.579 0 CA-C-O 121.696 0.76 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -108.77 -37.88 5.77 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.866 0.841 . . . . 0.0 110.853 177.827 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.06 106.26 4.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.61 0.719 . . . . 0.0 111.063 179.852 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.36 130.34 7.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.586 0.708 . . . . 0.0 110.914 174.602 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m 67.02 149.47 0.05 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.655 0.74 . . . . 0.0 110.927 -173.107 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.06 97.48 0.44 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.653 0.74 . . . . 0.0 110.826 -173.098 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 173.22 84.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.247 0.934 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.091 -179.63 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -108.81 95.99 6.02 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.656 1.217 . . . . 0.0 110.6 171.692 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.874 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 2.4 tt0 -48.69 147.27 2.66 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.805 -179.102 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 9' ' ' GLN . . . 176.71 143.72 0.08 Allowed 'General case' 0 C--O 1.252 1.229 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.216 171.611 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.9 p -69.21 175.47 3.86 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 122.512 1.149 . . . . 0.0 111.366 -170.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.908 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -70.5 -35.9 73.48 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 121.4 -0.812 . . . . 0.0 112.568 -175.548 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.689 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 2.3 mm -72.68 -28.35 27.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.559 0.695 . . . . 0.0 112.175 -172.103 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.3 m -78.47 -35.03 47.17 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.811 0.815 . . . . 0.0 110.567 178.059 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 1.031 ' HG3' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -53.4 -62.0 1.94 Allowed 'General case' 0 C--O 1.245 0.85 0 CA-C-O 122.423 1.106 . . . . 0.0 111.487 172.07 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.031 HD13 ' HG3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -70.14 -42.65 72.27 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.974 1.369 . . . . 0.0 110.326 -169.168 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.689 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 1.4 tptt -76.11 -22.35 55.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.991 -175.048 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.6 mttm 60.12 72.83 0.51 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 124.859 2.266 . . . . 0.0 109.626 -171.696 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.67 HD13 ' HB3' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -127.38 174.53 8.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 113.576 -1.647 . . . . 0.0 110.217 -173.128 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.93 143.84 26.59 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.323 170.43 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 t -127.73 76.93 1.72 Allowed 'General case' 0 C--O 1.243 0.744 0 CA-C-O 121.588 0.709 . . . . 0.0 112.461 -172.675 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.602 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.9 p -44.23 -13.72 0.02 OUTLIER 'General case' 0 C--O 1.245 0.844 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 167.099 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.874 ' NZ ' ' HB3' ' A' ' 9' ' ' GLN . 7.3 mttt 91.02 -46.23 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 125.079 1.352 . . . . 0.0 113.311 169.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.838 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 3.3 pt-20 -21.14 144.01 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 126.321 2.962 . . . . 0.0 115.885 -165.122 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.52 ' HG2' ' OH ' ' A' ' 40' ' ' TYR . 8.5 mttt -117.73 148.73 43.75 Favored Pre-proline 0 CA--C 1.51 -0.584 0 O-C-N 119.802 -1.811 . . . . 0.0 112.66 -165.656 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.424 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 97.7 Cg_endo -65.6 -41.75 0.71 Allowed 'Cis proline' 0 N--CA 1.534 3.872 0 N-CA-C 115.876 1.452 . . . . 0.0 115.876 -3.372 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.485 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -106.7 139.69 40.73 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 121.198 -0.939 . . . . 0.0 110.21 177.215 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.838 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -55.23 179.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 122.505 1.145 . . . . 0.0 110.608 176.16 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.77 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -56.05 -40.69 73.91 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 123.52 1.629 . . . . 0.0 109.408 170.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.622 ' HE2' ' CD2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -50.68 -70.42 0.09 Allowed 'General case' 0 C--O 1.239 0.531 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 177.898 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.453 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 57.3 m -58.28 -40.65 82.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.465 0.65 . . . . 0.0 110.483 -173.018 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.689 HD22 ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -58.33 -38.29 76.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 122.243 1.02 . . . . 0.0 110.517 179.423 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.77 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 16.0 mtmt -71.64 -28.94 64.11 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.117 0.961 . . . . 0.0 111.205 -174.673 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.493 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 36.2 m-80 -112.61 4.09 17.06 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.485 -174.921 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t30 51.74 82.35 0.07 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.194 0.997 . . . . 0.0 110.4 -171.885 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.663 ' CE3' HG21 ' A' ' 13' ' ' ILE . 24.9 m0 -129.05 175.15 8.91 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.775 0.798 . . . . 0.0 110.721 -175.053 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -104.3 76.77 1.35 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.953 0.882 . . . . 0.0 110.499 177.221 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.485 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 17.6 t -52.79 95.27 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.209 1.004 . . . . 0.0 110.823 171.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.583 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 1.5 ttm-85 -96.9 104.21 16.2 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 124.18 1.943 . . . . 0.0 112.121 177.929 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.52 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 21.7 m-85 -96.23 -25.8 15.67 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 120.56 -1.337 . . . . 0.0 110.817 173.104 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.888 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -167.22 -171.06 0.23 Allowed Pre-proline 0 C--N 1.321 -0.658 0 O-C-N 121.497 -0.752 . . . . 0.0 110.798 -171.408 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.888 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 9.8 Cg_endo -46.22 -45.21 18.75 Favored 'Trans proline' 0 N--CA 1.532 3.741 1 C-N-CA 126.489 4.793 . . . . 0.0 114.433 177.612 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.272 2.251 0 CA-C-O 121.813 0.816 . . . . 0.0 111.223 171.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.263 1.774 0 CA-C-O 118.593 -0.718 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.5 p -72.66 170.16 15.1 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 121.195 1.816 . . . . 0.0 112.578 -168.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.673 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -58.47 -42.69 88.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.158 0.98 . . . . 0.0 110.54 -179.556 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.616 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.0 OUTLIER -65.43 -28.59 44.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.491 0.662 . . . . 0.0 112.658 -172.597 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.8 m -77.85 -32.82 52.28 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.859 1.314 . . . . 0.0 110.264 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.673 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -49.19 -64.6 0.76 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 123.688 1.709 . . . . 0.0 110.816 170.626 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.61 HD12 ' O ' ' A' ' 12' ' ' ASP . 2.2 mp -66.34 -51.39 57.7 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 120.515 -1.365 . . . . 0.0 110.743 -168.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.914 ' HB2' HD22 ' A' ' 19' ' ' LEU . 10.2 mmtm -75.81 -18.47 59.48 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.828 -172.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? 60.42 72.9 0.5 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 123.506 1.622 . . . . 0.0 109.311 -170.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.914 HD22 ' HB2' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -127.31 156.5 41.85 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.733 -176.066 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.72 146.85 35.7 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.447 0.641 . . . . 0.0 110.907 172.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.558 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 24.9 t -130.71 80.05 1.93 Allowed 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.728 -0.607 . . . . 0.0 112.14 -171.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.574 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 6.3 p -40.44 -26.93 0.04 OUTLIER 'General case' 0 C--O 1.247 0.95 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 169.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.574 ' HB2' ' O ' ' A' ' 22' ' ' SER . 13.7 mttt 84.89 9.19 0.4 Allowed 'General case' 0 C--O 1.251 1.168 0 O-C-N 120.834 -1.166 . . . . 0.0 113.61 170.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.96 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.7 pt-20 -46.29 152.91 0.38 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 122.472 1.13 . . . . 0.0 110.407 168.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.4 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 66.9 mttt -133.79 147.43 64.31 Favored Pre-proline 0 C--O 1.242 0.68 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.125 -167.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.567 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 98.2 Cg_endo -66.34 -45.21 0.36 Allowed 'Cis proline' 0 N--CA 1.532 3.742 0 N-CA-C 115.752 1.405 . . . . 0.0 115.752 -3.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.668 ' HD3' ' HB3' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -98.94 137.77 37.01 Favored 'General case' 0 C--O 1.245 0.835 0 O-C-N 120.623 -1.298 . . . . 0.0 110.066 178.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.96 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -57.35 -174.18 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.527 1.156 . . . . 0.0 110.446 174.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.597 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -63.25 -40.18 96.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 123.205 1.478 . . . . 0.0 109.943 170.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.587 ' HG3' ' HZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -45.86 -71.64 0.07 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 175.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.489 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 83.5 m -60.66 -39.87 89.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.551 -172.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 32' ' ' LEU . 2.9 tt -57.89 -37.11 73.38 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.301 1.048 . . . . 0.0 110.08 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.597 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 6.2 mtpp -71.9 -30.87 65.84 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.068 0.937 . . . . 0.0 111.15 -173.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.491 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 12.7 m-80 -112.5 5.76 18.16 Favored 'General case' 0 C--O 1.249 1.042 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.218 -175.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 51.43 82.37 0.06 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 122.464 1.126 . . . . 0.0 110.454 -171.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.616 ' CE3' HG21 ' A' ' 13' ' ' ILE . 29.7 m0 -128.27 173.16 10.39 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-O 121.625 0.726 . . . . 0.0 110.395 -176.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -106.02 64.23 0.68 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.801 0.81 . . . . 0.0 110.557 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.668 ' HB3' ' HD3' ' A' ' 27' ' ' LYS . 9.8 t -44.96 97.99 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.458 1.123 . . . . 0.0 112.009 175.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.319 -0.726 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.911 172.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.495 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 39' ' ' ARG . 30.4 p -72.43 175.06 6.55 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 120.264 1.393 . . . . 0.0 113.433 -166.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.683 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 9.9 t70 -59.03 -49.28 78.49 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.069 175.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.601 HG21 ' CE3' ' A' ' 36' ' ' TRP . 3.0 mm -56.28 -30.58 30.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -172.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.2 m -77.42 -30.74 53.64 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 123.083 1.42 . . . . 0.0 109.899 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.683 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -52.36 -62.82 1.4 Allowed 'General case' 0 C--O 1.241 0.609 0 CA-C-O 122.849 1.309 . . . . 0.0 111.694 170.077 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.92 -52.65 58.84 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.457 1.123 . . . . 0.0 110.728 -169.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.917 ' HB2' HD22 ' A' ' 19' ' ' LEU . 5.0 mmmt -74.97 -21.15 59.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 122.103 0.954 . . . . 0.0 111.655 -175.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' C ' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER 56.18 74.95 0.37 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 124.715 2.198 . . . . 0.0 108.914 -169.848 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.917 HD22 ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -120.24 178.18 4.74 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 113.38 -1.736 . . . . 0.0 109.899 179.613 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -89.04 151.26 22.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.775 170.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.1 t -130.88 78.77 1.86 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.321 0.581 . . . . 0.0 112.526 -175.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.65 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 10.3 p -39.47 -29.86 0.06 Allowed 'General case' 0 C--O 1.244 0.77 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 169.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.65 ' HB2' ' O ' ' A' ' 22' ' ' SER . 7.7 mttp 87.64 7.52 0.2 Allowed 'General case' 0 C--O 1.252 1.191 0 C-N-CA 124.4 1.08 . . . . 0.0 113.737 169.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 1.148 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.8 pt-20 -44.66 159.56 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 122.659 1.219 . . . . 0.0 111.252 170.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.35 145.85 51.38 Favored Pre-proline 0 C--O 1.244 0.807 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.442 -169.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.485 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 99.0 Cg_endo -66.6 -45.9 0.33 Allowed 'Cis proline' 0 N--CA 1.531 3.705 0 N-CA-C 115.745 1.402 . . . . 0.0 115.745 -3.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.485 ' HG2' ' HG2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -96.52 138.04 34.7 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 120.603 -1.311 . . . . 0.0 109.541 179.621 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 1.148 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -56.25 -172.2 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 123.2 1.476 . . . . 0.0 110.359 172.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.742 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -63.63 -40.02 95.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 122.627 1.203 . . . . 0.0 110.578 170.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.898 ' HD3' HD23 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -46.78 -72.57 0.05 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 173.605 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.415 ' HA ' ' HB2' ' A' ' 36' ' ' TRP . 35.4 m -72.23 -13.21 61.47 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.241 1.019 . . . . 0.0 113.706 -168.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -76.84 -43.63 35.45 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 119.984 -1.697 . . . . 0.0 110.241 167.757 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.742 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 4.5 mttm -69.2 -27.73 65.76 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.536 1.16 . . . . 0.0 111.292 -171.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.503 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 19.0 m-80 -114.66 -3.07 12.91 Favored 'General case' 0 C--O 1.254 1.337 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -171.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 59.33 51.96 6.34 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 125.081 2.372 . . . . 0.0 109.419 -175.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.601 ' CE3' HG21 ' A' ' 13' ' ' ILE . 42.9 m0 -98.83 172.86 7.17 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 114.228 -1.351 . . . . 0.0 110.881 169.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -108.24 71.24 0.79 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.008 0.908 . . . . 0.0 110.858 -173.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.417 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 10.6 t -45.67 107.05 0.09 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.929 1.347 . . . . 0.0 111.4 177.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.502 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.712 169.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.55 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.3 p -77.36 174.97 10.2 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 120.82 1.645 . . . . 0.0 113.452 -166.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.825 ' HA ' ' HD2' ' A' ' 15' ' ' ARG . 8.1 t70 -54.78 -43.32 72.7 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-O 122.35 1.071 . . . . 0.0 111.468 176.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.533 HG21 ' CE3' ' A' ' 36' ' ' TRP . 2.4 mm -65.18 -27.24 41.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -175.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.6 m -77.97 -36.42 49.05 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.395 0.617 . . . . 0.0 110.508 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.825 ' HD2' ' HA ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -52.4 -59.09 4.84 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-O 122.322 1.058 . . . . 0.0 111.452 171.139 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.78 -52.28 61.03 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 120.576 -1.327 . . . . 0.0 110.517 -168.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.845 ' HB2' HD22 ' A' ' 19' ' ' LEU . 2.3 mptp? -76.41 -20.07 57.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.133 -0.939 . . . . 0.0 111.791 -173.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? 61.08 71.54 0.56 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 123.737 1.732 . . . . 0.0 109.298 -171.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.845 HD22 ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -124.18 164.58 19.2 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.294 -1.321 . . . . 0.0 109.982 -172.496 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.43 ' H ' ' HG3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.14 138.93 31.01 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.408 0.623 . . . . 0.0 110.931 172.157 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.584 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 5.6 t -119.05 82.08 1.81 Allowed 'General case' 0 C--N 1.32 -0.701 0 O-C-N 121.881 -0.512 . . . . 0.0 112.251 -172.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.613 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.8 p -39.9 -29.54 0.07 Allowed 'General case' 0 C--O 1.244 0.782 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 169.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.613 ' HB2' ' O ' ' A' ' 22' ' ' SER . 24.8 mttp 86.02 11.8 0.2 Allowed 'General case' 0 C--O 1.251 1.171 0 C-N-CA 124.635 1.174 . . . . 0.0 113.923 169.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 1.015 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 3.0 pt-20 -52.04 161.44 0.59 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 123.291 1.52 . . . . 0.0 113.019 168.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -135.53 149.33 69.07 Favored Pre-proline 0 C--O 1.245 0.832 0 CA-C-N 114.51 -1.223 . . . . 0.0 112.483 -170.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -66.36 -44.07 0.47 Allowed 'Cis proline' 0 N--CA 1.532 3.764 0 N-CA-C 115.73 1.396 . . . . 0.0 115.73 -3.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.32 139.41 35.02 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 120.914 -1.116 . . . . 0.0 109.458 177.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 1.015 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.4 p -54.19 178.74 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 122.642 1.211 . . . . 0.0 110.27 173.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.744 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -58.88 -39.16 80.56 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 123.734 1.73 . . . . 0.0 109.045 171.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.77 ' HE2' ' CD2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -45.73 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 174.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.454 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 63.1 m -61.24 -41.49 96.98 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.431 -170.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.467 HD13 ' C ' ' A' ' 32' ' ' LEU . 1.4 tm? -59.04 -35.22 72.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.049 0.928 . . . . 0.0 110.637 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.744 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 2.1 mtmp? -73.17 -29.78 63.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.134 0.968 . . . . 0.0 111.51 -176.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.469 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 43.5 m-80 -111.96 8.01 20.11 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.119 -177.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 45.35 81.4 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.222 1.011 . . . . 0.0 111.302 -171.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.634 ' HZ3' ' HG3' ' A' ' 30' ' ' LYS . 17.9 m0 -123.68 -178.08 3.92 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.824 0.821 . . . . 0.0 110.466 -172.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -108.0 84.92 2.03 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.795 0.807 . . . . 0.0 111.572 173.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.3 t -63.07 91.81 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.998 0.904 . . . . 0.0 111.045 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.708 0 CA-C-O 123.449 1.595 . . . . 0.0 110.759 172.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.7 p -58.91 171.27 0.7 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 122.475 1.131 . . . . 0.0 112.499 -169.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.825 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 8.6 t0 -58.78 -58.33 9.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.106 -174.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 1.034 HG12 HD21 ' A' ' 16' ' ' LEU . 3.8 mt -73.81 -10.48 13.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -169.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.1 m -76.98 -28.11 54.98 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 123.887 1.803 . . . . 0.0 108.551 167.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.825 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -63.19 -61.13 2.57 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-N 114.955 -1.021 . . . . 0.0 112.998 167.638 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 1.034 HD21 HG12 ' A' ' 13' ' ' ILE . 3.0 pp -68.55 -42.06 78.91 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 123.645 1.688 . . . . 0.0 109.639 -169.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.784 ' HB3' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -78.27 -25.65 46.84 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 114.295 -1.321 . . . . 0.0 111.885 -174.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.89 71.75 0.55 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 123.747 1.737 . . . . 0.0 109.575 -169.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.784 HD22 ' HB3' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -125.79 -177.67 4.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.33 -1.304 . . . . 0.0 110.515 -174.799 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt -89.0 147.92 24.03 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.002 171.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.796 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 5.5 t -137.63 68.81 1.4 Allowed 'General case' 0 C--O 1.245 0.817 0 CA-C-O 121.268 0.556 . . . . 0.0 112.386 -178.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.636 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 6.3 p -39.41 -24.57 0.01 OUTLIER 'General case' 0 C--O 1.245 0.847 0 O-C-N 121.339 -0.85 . . . . 0.0 112.93 168.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.796 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 5.0 mtpm? 86.77 8.63 0.23 Allowed 'General case' 0 C--O 1.253 1.244 0 C-N-CA 124.552 1.141 . . . . 0.0 113.994 168.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.848 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 0.7 OUTLIER -46.77 155.24 0.26 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 122.774 1.274 . . . . 0.0 110.65 169.156 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.404 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -137.22 152.99 74.58 Favored Pre-proline 0 C--O 1.243 0.712 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.02 -168.023 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.404 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 97.2 Cg_endo -65.33 -38.88 1.07 Allowed 'Cis proline' 0 N--CA 1.532 3.756 0 N-CA-C 115.697 1.383 . . . . 0.0 115.697 -3.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.732 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -104.37 139.95 38.6 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 121.294 -0.878 . . . . 0.0 110.401 174.59 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.848 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.7 p -56.94 -173.11 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.557 1.17 . . . . 0.0 110.276 172.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.685 ' O ' ' HG2' ' A' ' 33' ' ' LYS . . . -62.16 -43.39 98.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.989 1.376 . . . . 0.0 109.974 170.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.904 ' HE2' ' CZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -46.52 -71.1 0.08 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 177.565 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.732 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 55.7 m -59.65 -41.41 90.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.907 -172.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.59 HD23 ' O ' ' A' ' 32' ' ' LEU . 1.1 tt -59.76 -34.58 73.16 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.253 1.025 . . . . 0.0 110.253 -177.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.685 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 6.4 mmtp -73.22 -32.98 65.09 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.333 1.064 . . . . 0.0 111.44 -174.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.517 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 13.0 m-80 -109.45 5.71 23.57 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.694 -177.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 50.42 85.03 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.947 0.88 . . . . 0.0 110.688 -171.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.904 ' CZ3' ' HE2' ' A' ' 30' ' ' LYS . 35.6 m0 -128.99 171.39 12.4 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.462 -0.774 . . . . 0.0 110.289 -177.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -100.85 64.42 1.08 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.635 0.731 . . . . 0.0 110.61 -175.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.7 t -44.7 94.04 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.093 0.949 . . . . 0.0 111.72 173.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 . . . . . 0 C--N 1.318 -0.796 0 CA-C-O 122.46 1.124 . . . . 0.0 112.657 -179.317 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.253 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.731 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 26.6 p -59.59 171.95 0.77 Allowed 'General case' 0 C--N 1.315 -0.901 0 O-C-N 121.377 -0.827 . . . . 0.0 112.111 -169.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.707 ' O ' HD23 ' A' ' 16' ' ' LEU . 14.4 t70 -57.66 -37.26 73.08 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.008 0.909 . . . . 0.0 111.008 178.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.657 HG21 ' CE3' ' A' ' 36' ' ' TRP . 2.2 mm -74.41 -26.54 20.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -172.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.5 m -78.58 -33.85 47.34 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.908 1.337 . . . . 0.0 110.373 178.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.731 ' HG2' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -51.3 -65.21 0.6 Allowed 'General case' 0 C--O 1.241 0.608 0 CA-C-O 123.437 1.589 . . . . 0.0 110.988 171.292 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 12' ' ' ASP . 0.8 OUTLIER -67.54 -46.24 73.35 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.846 1.308 . . . . 0.0 110.501 -168.521 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.893 ' HB3' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -76.88 -21.68 54.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.972 -174.075 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.471 ' O ' HD12 ' A' ' 19' ' ' LEU . 8.2 mttt 61.03 73.07 0.49 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 123.531 1.634 . . . . 0.0 109.678 -170.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.893 HD13 ' HB3' ' A' ' 17' ' ' LYS . 1.0 OUTLIER -126.84 168.99 13.7 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.338 -175.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.475 ' H ' ' HG2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.32 148.51 24.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.85 171.83 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.7 t -132.78 76.91 1.71 Allowed 'General case' 0 C--O 1.245 0.858 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -172.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.638 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 4.6 p -39.05 -26.48 0.02 OUTLIER 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.426 -0.796 . . . . 0.0 112.887 168.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.638 ' HB2' ' O ' ' A' ' 22' ' ' SER . 12.7 mttp 87.61 7.31 0.21 Allowed 'General case' 0 C--O 1.252 1.208 0 C-N-CA 124.747 1.219 . . . . 0.0 113.864 169.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 1.084 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.7 pt-20 -45.37 157.98 0.08 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 122.529 1.157 . . . . 0.0 110.926 170.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.448 ' HB2' ' HE2' ' A' ' 25' ' ' LYS . 6.1 mtmm -138.05 152.07 71.22 Favored Pre-proline 0 C--O 1.243 0.76 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.967 -169.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.447 ' HG2' ' HG3' ' A' ' 27' ' ' LYS . 83.0 Cg_endo -64.76 -42.13 0.63 Allowed 'Cis proline' 0 N--CA 1.53 3.631 0 N-CA-C 115.316 1.237 . . . . 0.0 115.316 -3.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.742 ' HE3' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -102.3 141.7 34.7 Favored 'General case' 0 C--N 1.318 -0.802 0 O-C-N 121.001 -1.062 . . . . 0.0 110.721 175.165 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 1.084 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -55.7 -174.66 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 122.597 1.189 . . . . 0.0 110.623 172.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.529 ' HB2' ' OE2' ' A' ' 24' ' ' GLU . . . -63.01 -39.66 95.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 123.042 1.401 . . . . 0.0 110.096 171.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.891 ' CG ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -48.03 -69.15 0.13 Allowed 'General case' 0 C--O 1.242 0.69 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 175.221 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.486 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 83.3 m -59.97 -41.21 91.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.553 -0.717 . . . . 0.0 110.466 -173.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.742 ' HG ' ' HE3' ' A' ' 27' ' ' LYS . 2.8 tt -58.65 -35.57 72.75 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.36 1.076 . . . . 0.0 109.986 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -75.45 -26.9 58.67 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.848 -173.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.511 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 27.0 m-80 -114.22 6.61 16.28 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.354 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 50.01 84.86 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.012 0.911 . . . . 0.0 111.161 -171.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.657 ' CE3' HG21 ' A' ' 13' ' ' ILE . 28.4 m0 -130.05 173.06 11.09 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-O 121.621 0.725 . . . . 0.0 110.351 -175.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.21 54.74 0.7 Allowed 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.085 -1.009 . . . . 0.0 111.334 -172.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.534 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 13.3 t -41.52 106.34 0.06 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.915 1.34 . . . . 0.0 113.834 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.401 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 1.6 mtt180 . . . . . 0 C--O 1.248 0.998 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.831 165.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.233 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.9 p -77.46 173.99 11.35 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 120.667 -1.271 . . . . 0.0 111.416 -172.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.635 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 2.6 t70 -66.06 -50.49 63.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.569 0.699 . . . . 0.0 110.743 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.579 HG21 ' CE3' ' A' ' 36' ' ' TRP . 2.7 mm -56.3 -28.94 26.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -174.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.1 m -78.09 -32.04 50.41 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 123.139 1.447 . . . . 0.0 110.122 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.635 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -51.2 -63.02 1.27 Allowed 'General case' 0 C--O 1.242 0.673 0 CA-C-O 123.13 1.443 . . . . 0.0 111.498 170.58 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.71 -49.79 64.93 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 120.666 -1.271 . . . . 0.0 110.759 -169.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.823 ' HB2' ' CD2' ' A' ' 19' ' ' LEU . 10.5 mmtm -75.01 -21.4 59.14 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.993 0.902 . . . . 0.0 111.851 -175.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.713 ' C ' HD13 ' A' ' 19' ' ' LEU . 7.5 mttt 58.36 74.97 0.41 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 123.288 1.518 . . . . 0.0 109.805 -170.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.823 ' CD2' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -123.11 178.41 5.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.824 1.297 . . . . 0.0 109.608 172.305 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -88.97 158.78 17.92 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.843 170.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.857 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 7.5 t -139.14 78.57 1.68 Allowed 'General case' 0 C--O 1.242 0.702 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -174.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.595 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 3.5 p -39.72 -28.98 0.05 Allowed 'General case' 0 C--O 1.244 0.788 0 O-C-N 121.418 -0.801 . . . . 0.0 113.014 168.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.857 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 17.9 mttp 87.86 8.53 0.16 Allowed 'General case' 0 C--O 1.257 1.489 0 C-N-CA 124.603 1.161 . . . . 0.0 113.703 169.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 1.119 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.6 pt-20 -46.23 156.88 0.14 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 119.495 1.043 . . . . 0.0 110.165 169.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.419 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 9.6 mtmm -137.2 154.85 76.01 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-O 121.654 0.74 . . . . 0.0 112.021 -168.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.434 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 89.5 Cg_endo -64.78 -40.07 0.86 Allowed 'Cis proline' 0 N--CA 1.531 3.695 0 N-CA-C 115.69 1.381 . . . . 0.0 115.69 -3.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -102.99 142.31 34.31 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.126 -0.984 . . . . 0.0 110.286 172.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 1.119 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -54.35 -175.85 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.738 1.256 . . . . 0.0 110.104 171.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.523 ' O ' ' HG2' ' A' ' 33' ' ' LYS . . . -52.57 -49.37 65.11 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.39 1.09 . . . . 0.0 110.041 171.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.521 ' CE ' ' HG ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -72.83 -44.46 61.41 Favored 'General case' 0 C--O 1.274 2.384 0 N-CA-C 117.028 2.233 . . . . 0.0 117.028 -168.018 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.546 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 61.8 m -57.64 -40.58 79.56 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 121.326 1.875 . . . . 0.0 108.212 174.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.673 ' O ' HD13 ' A' ' 32' ' ' LEU . 2.8 tm? -60.41 -33.59 72.72 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.927 0.87 . . . . 0.0 110.86 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -75.7 -28.37 58.6 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.175 0.988 . . . . 0.0 111.985 -175.611 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.465 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 17.2 m-20 -112.74 11.23 19.38 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 123.202 0.601 . . . . 0.0 111.545 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 42.35 83.44 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.931 0.872 . . . . 0.0 111.806 -172.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.579 ' CE3' HG21 ' A' ' 13' ' ' ILE . 17.6 m0 -125.78 175.66 7.47 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.973 0.892 . . . . 0.0 110.586 -172.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -104.95 59.43 0.69 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.086 0.946 . . . . 0.0 110.917 -175.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.2 t -42.94 95.83 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.186 0.994 . . . . 0.0 111.866 172.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.607 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 178.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.585 0 CA-C-O 121.461 0.648 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.406 ' CB ' ' SG ' ' A' ' 38' ' ' CYS . 30.4 p -72.25 178.62 3.79 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.324 0.583 . . . . 0.0 111.141 -172.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -61.56 -35.1 76.84 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 121.429 -0.795 . . . . 0.0 110.944 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 1.004 HD13 HD21 ' A' ' 16' ' ' LEU . 6.9 mm -76.2 -28.18 18.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -173.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.571 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 16.6 m -79.74 -35.93 38.06 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.775 1.274 . . . . 0.0 110.137 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.622 ' HG2' ' N ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -53.19 -60.26 3.51 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-O 122.557 1.17 . . . . 0.0 111.17 169.065 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 1.03 HD12 ' HG2' ' A' ' 17' ' ' LYS . 2.3 pp -63.41 -52.23 62.47 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 120.553 -1.342 . . . . 0.0 110.488 -169.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 1.03 ' HG2' HD12 ' A' ' 16' ' ' LEU . 3.4 mmtm -77.51 -21.69 52.35 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.037 0.922 . . . . 0.0 111.995 -174.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.6 mttt 59.11 72.38 0.53 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 124.701 2.191 . . . . 0.0 109.424 -170.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.757 HD22 ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -120.57 -179.7 4.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 113.557 -1.656 . . . . 0.0 110.3 -173.116 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.521 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.86 141.04 28.83 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.016 171.477 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.571 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 16.5 t -136.89 80.0 1.79 Allowed 'General case' 0 C--O 1.244 0.784 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -172.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.533 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.0 p -41.75 -23.1 0.02 OUTLIER 'General case' 0 C--O 1.247 0.944 0 N-CA-C 114.05 1.129 . . . . 0.0 114.05 167.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' A' ' 22' ' ' SER . 9.0 mttp 77.33 4.11 3.17 Favored 'General case' 0 C--O 1.25 1.092 0 O-C-N 120.56 -1.338 . . . . 0.0 114.534 174.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.696 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -46.35 154.51 0.27 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 122.781 1.277 . . . . 0.0 110.631 169.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.442 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 79.6 mttt -135.95 154.09 77.45 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.265 -167.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 88.8 Cg_endo -64.8 -41.17 0.73 Allowed 'Cis proline' 0 N--CA 1.531 3.733 0 N-CA-C 115.482 1.301 . . . . 0.0 115.482 -3.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.53 ' HA ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -103.31 140.32 37.57 Favored 'General case' 0 C--O 1.245 0.848 0 O-C-N 121.132 -0.98 . . . . 0.0 110.39 174.096 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.696 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -56.51 -175.75 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.66 1.219 . . . . 0.0 110.235 172.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.633 ' HB2' ' OE2' ' A' ' 24' ' ' GLU . . . -62.53 -40.48 96.92 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 123.304 1.526 . . . . 0.0 109.689 170.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.513 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -45.87 -72.33 0.06 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 176.094 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.469 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 85.2 m -58.55 -42.73 88.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.323 -171.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.616 HD22 ' O ' ' A' ' 32' ' ' LEU . 1.1 tm? -59.37 -33.91 71.76 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.079 0.942 . . . . 0.0 110.0 -176.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 29.3 mmtt -77.45 -29.57 52.85 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.255 1.026 . . . . 0.0 111.886 -174.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.491 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 33.3 m-80 -105.35 4.96 31.43 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.046 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.64 81.16 0.05 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.242 1.02 . . . . 0.0 110.861 -171.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.614 ' CE3' HG21 ' A' ' 13' ' ' ILE . 26.4 m0 -125.96 174.28 8.53 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-O 121.673 0.749 . . . . 0.0 110.425 -175.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -105.1 63.28 0.7 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.796 0.808 . . . . 0.0 110.897 -176.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.53 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 8.3 t -46.08 98.55 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.892 0.853 . . . . 0.0 111.213 172.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.58 0 CA-C-O 122.736 1.255 . . . . 0.0 113.642 172.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.482 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.8 p -70.98 173.93 6.85 Favored 'General case' 0 C--N 1.315 -0.909 0 O-C-N 120.559 -1.338 . . . . 0.0 111.551 -169.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.437 ' O ' HD22 ' A' ' 16' ' ' LEU . 2.7 t70 -68.9 -27.14 65.51 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 121.821 -0.55 . . . . 0.0 112.389 -177.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.611 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.3 mm -75.76 -33.43 26.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.626 0.727 . . . . 0.0 112.27 -174.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.2 m -77.09 -33.24 57.02 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.647 1.213 . . . . 0.0 109.947 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.518 ' HG2' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -48.91 -62.89 1.28 Allowed 'General case' 0 C--O 1.243 0.715 0 CA-C-O 123.412 1.577 . . . . 0.0 111.234 171.681 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.518 HD13 ' HG2' ' A' ' 15' ' ' ARG . 0.5 OUTLIER -72.13 -43.21 65.06 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 120.397 -1.439 . . . . 0.0 110.736 -168.585 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.763 ' HB2' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -74.74 -18.66 60.46 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.427 -174.131 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 mttm 60.73 73.22 0.49 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 124.346 2.022 . . . . 0.0 109.449 -171.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.838 ' HG ' ' HE2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -124.19 -169.86 2.04 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 113.896 -1.502 . . . . 0.0 109.508 -174.721 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.624 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.6 OUTLIER -88.69 -152.04 0.22 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.767 167.327 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.856 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 5.6 t 179.52 81.29 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.459 0.647 . . . . 0.0 111.342 169.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.621 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 9.9 p -39.56 -31.54 0.1 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 170.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.856 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 47.6 mttp 87.76 5.56 0.26 Allowed 'General case' 0 C--O 1.251 1.153 0 C-N-CA 124.409 1.084 . . . . 0.0 113.339 170.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 1.055 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 3.5 pt-20 -45.18 157.16 0.09 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 122.643 1.211 . . . . 0.0 111.16 169.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -138.05 146.43 52.09 Favored Pre-proline 0 C--O 1.243 0.74 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.07 -169.446 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.429 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 94.8 Cg_endo -66.52 -45.34 0.36 Allowed 'Cis proline' 0 N--CA 1.532 3.771 0 N-CA-C 115.825 1.433 . . . . 0.0 115.825 -3.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.513 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -96.01 135.45 37.76 Favored 'General case' 0 C--O 1.246 0.909 0 O-C-N 120.662 -1.273 . . . . 0.0 110.169 179.288 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 1.055 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -57.24 -172.53 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.599 1.19 . . . . 0.0 110.19 172.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.521 ' HB2' ' OE2' ' A' ' 24' ' ' GLU . . . -59.31 -46.74 87.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 122.385 1.088 . . . . 0.0 110.455 170.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.838 ' HE2' ' HG ' ' A' ' 19' ' ' LEU . 4.2 mmmt -46.71 -72.87 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 178.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.513 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 58.0 m -58.77 -39.68 81.73 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 114.646 -1.161 . . . . 0.0 112.039 -169.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.591 HD13 ' C ' ' A' ' 32' ' ' LEU . 1.4 tm? -59.91 -38.37 82.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.219 1.009 . . . . 0.0 110.081 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -70.95 -28.66 64.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.387 -175.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.474 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 37.2 m-80 -115.04 6.36 15.2 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.292 -174.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 48.36 82.06 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.201 1.001 . . . . 0.0 110.92 -171.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.611 ' CE3' HG21 ' A' ' 13' ' ' ILE . 27.6 m0 -126.88 174.36 8.87 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.728 0.775 . . . . 0.0 110.407 -175.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.13 70.11 1.19 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.973 0.892 . . . . 0.0 110.83 -179.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.0 t -48.51 95.82 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.548 1.166 . . . . 0.0 111.347 171.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.662 0 CA-C-O 123.54 1.638 . . . . 0.0 112.39 175.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.232 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.8 p -63.6 174.1 1.46 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 122.6 1.191 . . . . 0.0 112.764 -168.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.628 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 1.2 t70 -62.15 -45.86 91.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.315 178.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.554 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 1.9 mm -59.05 -28.82 39.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -172.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.7 m -77.18 -32.04 55.81 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.661 1.22 . . . . 0.0 110.146 177.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.628 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 2.6 mtp180 -50.1 -63.86 0.99 Allowed 'General case' 0 C--O 1.242 0.707 0 CA-C-O 123.587 1.661 . . . . 0.0 111.239 170.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.84 -49.66 60.97 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 120.321 -1.487 . . . . 0.0 110.894 -168.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 1.007 ' HB2' HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -75.02 -19.44 60.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.643 -174.23 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 mttm 59.89 71.99 0.55 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 123.702 1.715 . . . . 0.0 109.441 -171.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.007 HD22 ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -125.71 155.17 41.35 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.383 -1.281 . . . . 0.0 109.422 -175.823 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -79.55 134.98 36.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.87 0.843 . . . . 0.0 110.835 172.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.5 t -114.02 80.39 1.38 Allowed 'General case' 0 C--O 1.244 0.777 0 O-C-N 121.868 -0.52 . . . . 0.0 111.639 -171.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.637 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 11.0 p -38.63 -29.96 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 O-C-N 121.359 -0.838 . . . . 0.0 112.397 169.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.637 ' HB2' ' O ' ' A' ' 22' ' ' SER . 0.4 OUTLIER 88.34 7.43 0.16 Allowed 'General case' 0 C--O 1.254 1.31 0 C-N-CA 124.731 1.212 . . . . 0.0 114.064 167.792 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.89 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.3 pt-20 -46.88 154.23 0.35 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 122.638 1.209 . . . . 0.0 110.581 169.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 0.7 OUTLIER -138.38 150.89 68.06 Favored Pre-proline 0 C--O 1.243 0.76 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.028 -168.673 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.402 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 98.7 Cg_endo -65.64 -40.44 0.87 Allowed 'Cis proline' 0 N--CA 1.531 3.694 0 N-CA-C 115.719 1.392 . . . . 0.0 115.719 -3.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.55 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 6.8 mtmt -101.87 134.54 44.9 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 121.19 -0.943 . . . . 0.0 110.559 177.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.89 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -56.76 -173.76 0.01 OUTLIER 'General case' 0 C--O 1.241 0.63 0 CA-C-O 122.626 1.203 . . . . 0.0 110.175 172.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.535 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -64.73 -40.04 94.65 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 123.235 1.493 . . . . 0.0 110.113 170.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.736 ' HE2' ' CD2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -45.46 -72.67 0.05 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 114.665 1.358 . . . . 0.0 114.665 174.546 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.55 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 55.8 m -61.23 -38.77 87.82 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.777 -171.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.1 -40.31 76.76 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 122.115 0.96 . . . . 0.0 109.7 178.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 7.2 mtpm? -70.94 -27.54 63.83 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.987 -174.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.435 ' O ' ' CD1' ' A' ' 36' ' ' TRP . 45.8 m-20 -125.04 30.99 5.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.19 -176.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 35.93 68.09 0.26 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 124.776 2.227 . . . . 0.0 111.75 172.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.584 ' HZ3' ' HG3' ' A' ' 30' ' ' LYS . 15.8 m0 -115.88 179.04 4.1 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.75 -170.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -108.41 67.89 0.68 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.837 0.827 . . . . 0.0 111.544 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.415 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 17.4 t -45.33 97.03 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.493 1.14 . . . . 0.0 111.024 171.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.531 ' HB2' ' HB3' ' A' ' 12' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.716 0 CA-C-O 122.567 1.175 . . . . 0.0 112.284 -174.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.637 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.4 p -61.93 175.31 0.69 Allowed 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 120.957 1.708 . . . . 0.0 112.134 -168.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -57.28 -45.33 84.19 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.432 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.58 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.5 mm -61.78 -32.8 55.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -171.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.8 m -76.55 -32.5 58.23 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 122.286 1.041 . . . . 0.0 110.054 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.814 ' HG2' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -49.97 -63.19 1.19 Allowed 'General case' 0 C--O 1.244 0.779 0 CA-C-O 123.415 1.579 . . . . 0.0 111.13 171.274 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.814 ' N ' ' HG2' ' A' ' 15' ' ' ARG . 31.8 mt -66.44 -52.01 50.82 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 120.271 -1.518 . . . . 0.0 110.719 -168.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.581 ' HB2' HD22 ' A' ' 19' ' ' LEU . 5.6 mmtm -75.28 -17.41 60.3 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.544 -172.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp 61.35 72.04 0.53 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 123.816 1.77 . . . . 0.0 109.722 -172.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.862 HD23 ' CG ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -125.6 172.39 9.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.157 -172.705 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' H ' ' HG3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.25 151.64 22.51 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.946 172.195 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.9 t -136.09 78.08 1.69 Allowed 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.688 0.756 . . . . 0.0 112.951 -172.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.553 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 8.4 p -44.97 -19.57 0.03 OUTLIER 'General case' 0 C--O 1.249 1.04 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 169.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.553 ' HB2' ' O ' ' A' ' 22' ' ' SER . 0.6 OUTLIER 77.39 -2.61 2.57 Favored 'General case' 0 C--O 1.254 1.301 0 O-C-N 120.671 -1.268 . . . . 0.0 114.389 174.891 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 1.065 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 3.7 pt-20 -44.18 152.84 0.17 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 119.487 1.04 . . . . 0.0 110.331 170.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HE3' ' O ' ' A' ' 23' ' ' LYS . 3.3 mttt -137.03 155.17 76.33 Favored Pre-proline 0 C--O 1.244 0.768 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.023 -168.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.477 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 89.0 Cg_endo -64.98 -36.96 1.43 Allowed 'Cis proline' 0 N--CA 1.531 3.701 0 N-CA-C 115.842 1.439 . . . . 0.0 115.842 -3.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HG2' ' HG2' ' A' ' 26' ' ' PRO . 0.1 OUTLIER -104.82 137.45 42.58 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.435 -0.791 . . . . 0.0 110.782 174.161 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 1.065 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.9 p -56.45 -173.49 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.557 1.17 . . . . 0.0 110.787 171.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.637 ' HB2' ' OE2' ' A' ' 24' ' ' GLU . . . -60.08 -43.37 95.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 122.759 1.266 . . . . 0.0 109.646 170.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.862 ' CG ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -48.28 -69.89 0.11 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 179.717 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.472 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 69.9 m -61.39 -39.39 90.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.607 -172.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.565 HD22 ' O ' ' A' ' 32' ' ' LEU . 1.4 tm? -58.95 -36.2 74.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 122.31 1.052 . . . . 0.0 110.234 178.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.637 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 18.1 mmtt -70.85 -30.45 66.86 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.213 1.006 . . . . 0.0 111.075 -174.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.489 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 13.4 m-80 -116.43 7.46 13.83 Favored 'General case' 0 C--O 1.247 0.941 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.924 -174.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 49.32 85.27 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.454 -0.779 . . . . 0.0 111.21 -171.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.58 ' CE3' HG21 ' A' ' 13' ' ' ILE . 25.0 m0 -130.34 177.12 7.57 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.918 0.866 . . . . 0.0 110.715 -173.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.47 65.6 0.68 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.718 0.771 . . . . 0.0 110.844 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.7 t -38.67 95.01 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.531 1.158 . . . . 0.0 111.919 171.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 . . . . . 0 C--N 1.321 -0.645 0 CA-C-O 122.172 0.986 . . . . 0.0 112.427 -172.123 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.452 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.405 ' CB ' ' SG ' ' A' ' 38' ' ' CYS . 9.3 p -63.33 177.2 0.67 Allowed 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 120.811 1.641 . . . . 0.0 112.399 -165.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.612 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -60.56 -47.02 88.04 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.821 0.82 . . . . 0.0 110.906 179.453 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.574 HG21 ' CE3' ' A' ' 36' ' ' TRP . 11.6 mm -62.12 -25.08 36.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.73 0.776 . . . . 0.0 112.572 -171.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.6 m -78.47 -33.57 48.2 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.765 1.269 . . . . 0.0 110.47 176.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.612 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 4.1 mtt-85 -51.41 -64.47 0.8 Allowed 'General case' 0 C--O 1.242 0.678 0 CA-C-O 123.11 1.433 . . . . 0.0 111.101 171.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.63 -47.65 69.01 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.988 1.375 . . . . 0.0 110.23 -168.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 1.101 ' HE2' ' CH2' ' A' ' 36' ' ' TRP . 8.4 mtpp -77.32 -19.97 55.6 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.892 -172.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HZ2' ' HG2' ' A' ' 18' ' ' LYS . 3.9 mttp 60.19 72.56 0.52 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 124.16 1.933 . . . . 0.0 108.95 -170.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.733 ' HG ' ' HE2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -123.54 154.59 39.0 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.551 -172.312 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.02 134.15 35.06 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.466 0.65 . . . . 0.0 110.347 171.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.549 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 3.2 t -112.37 84.99 2.07 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.157 0.503 . . . . 0.0 110.958 -171.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.648 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.3 p -38.13 -30.15 0.03 OUTLIER 'General case' 0 C--O 1.244 0.792 0 O-C-N 121.682 -0.636 . . . . 0.0 112.516 170.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.648 ' HB2' ' O ' ' A' ' 22' ' ' SER . 11.4 mttm 84.1 77.21 0.02 OUTLIER 'General case' 0 C--O 1.271 2.235 0 O-C-N 121.143 -0.973 . . . . 0.0 111.884 167.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 1.056 ' C ' ' HD3' ' A' ' 25' ' ' LYS . 1.1 pt-20 -139.49 158.84 43.44 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 118.2 -2.813 . . . . 0.0 110.125 -173.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 1.056 ' HD3' ' C ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -120.52 136.55 25.39 Favored Pre-proline 0 C--O 1.24 0.59 0 CA-C-O 121.761 0.791 . . . . 0.0 112.404 -167.692 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -66.97 -50.33 0.18 OUTLIER 'Cis proline' 0 N--CA 1.534 3.859 0 N-CA-C 115.914 1.467 . . . . 0.0 115.914 -3.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.923 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -101.97 145.32 29.43 Favored 'General case' 0 C--O 1.255 1.354 0 O-C-N 120.437 -1.414 . . . . 0.0 110.065 -172.266 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.967 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.4 p -55.11 -176.01 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 123.221 1.486 . . . . 0.0 109.295 170.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.503 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -56.76 -41.87 78.36 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 123.243 1.497 . . . . 0.0 109.848 168.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.733 ' HE2' ' HG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -49.38 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 178.576 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.923 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 59.9 m -59.05 -37.87 78.05 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.092 -171.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.408 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 7.1 tt -61.1 -39.16 88.89 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.079 0.942 . . . . 0.0 109.834 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -65.61 -31.52 72.6 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 123.233 1.492 . . . . 0.0 110.27 -177.759 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.522 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . 2.5 m120 -113.17 2.97 15.82 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-N 114.826 -1.079 . . . . 0.0 113.894 -169.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 48.55 77.53 0.1 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.597 1.189 . . . . 0.0 110.381 -171.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 1.101 ' CH2' ' HE2' ' A' ' 17' ' ' LYS . 27.3 m0 -124.23 172.87 8.73 Favored 'General case' 0 C--O 1.245 0.818 0 C-N-CA 123.927 0.891 . . . . 0.0 110.273 -176.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -103.49 64.05 0.81 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.813 0.816 . . . . 0.0 110.592 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.518 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 15.6 t -42.59 95.95 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.939 0.875 . . . . 0.0 111.88 172.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.691 0 CA-C-O 124.455 2.074 . . . . 0.0 112.707 175.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.372 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.0 p -74.42 173.28 10.53 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 120.662 -1.274 . . . . 0.0 111.926 -170.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.474 ' HB2' ' HB3' ' A' ' 39' ' ' ARG . 1.3 t70 -70.11 -34.9 73.69 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 121.645 -0.659 . . . . 0.0 112.197 -178.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.602 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.3 mm -66.2 -31.53 54.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 O-C-N 121.593 -0.692 . . . . 0.0 112.76 -175.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.5 m -78.49 -33.08 48.42 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.67 1.224 . . . . 0.0 110.49 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.98 -63.6 1.08 Allowed 'General case' 0 C--O 1.242 0.669 0 CA-C-O 123.098 1.427 . . . . 0.0 111.115 171.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.6 mt -64.8 -52.96 54.03 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.752 1.263 . . . . 0.0 110.642 -169.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.736 ' HB2' HD22 ' A' ' 19' ' ' LEU . 6.7 mmmt -74.16 -19.89 60.41 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.366 -173.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp 58.97 71.93 0.56 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 123.907 1.813 . . . . 0.0 109.553 -171.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.763 ' CG ' ' HE2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -122.07 -177.6 3.63 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.22 -1.355 . . . . 0.0 110.603 -172.661 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.43 ' H ' ' HG2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.7 147.04 24.7 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.176 172.475 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.507 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 3.8 t -136.36 70.72 1.41 Allowed 'General case' 0 C--O 1.243 0.735 0 O-C-N 121.699 -0.626 . . . . 0.0 112.045 -175.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.645 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 5.4 p -39.28 -24.79 0.01 OUTLIER 'General case' 0 C--O 1.245 0.859 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 170.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.645 ' HB2' ' O ' ' A' ' 22' ' ' SER . 9.9 mttt 86.83 4.7 0.38 Allowed 'General case' 0 C--O 1.254 1.294 0 C-N-CA 124.544 1.138 . . . . 0.0 113.933 169.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 1.09 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.9 pt-20 -45.3 157.93 0.08 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 122.586 1.184 . . . . 0.0 111.307 170.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 11.2 mtmm -138.26 144.73 44.31 Favored Pre-proline 0 C--O 1.244 0.804 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.257 -169.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.401 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 95.1 Cg_endo -66.87 -47.08 0.27 Allowed 'Cis proline' 0 N--CA 1.531 3.714 0 N-CA-C 115.621 1.354 . . . . 0.0 115.621 -3.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.515 ' HD3' ' H ' ' A' ' 38' ' ' CYS . 7.1 mttp -95.1 131.89 40.6 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 120.654 -1.279 . . . . 0.0 110.137 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 1.09 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -55.79 -176.53 0.01 OUTLIER 'General case' 0 C--O 1.239 0.531 0 CA-C-O 122.803 1.287 . . . . 0.0 110.192 173.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.684 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -62.52 -40.79 97.9 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 123.151 1.453 . . . . 0.0 109.775 170.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.763 ' HE2' ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -45.29 -72.89 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 175.814 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.462 ' HA ' ' HB2' ' A' ' 36' ' ' TRP . 60.8 m -59.32 -43.05 92.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.485 -170.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.404 HD22 ' O ' ' A' ' 32' ' ' LEU . 2.1 tm? -59.93 -34.37 73.14 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 122.131 0.967 . . . . 0.0 109.799 -177.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.684 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 10.5 mttm -77.0 -26.53 53.96 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.056 0.931 . . . . 0.0 111.881 -174.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.462 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 22.2 m-80 -112.81 8.06 18.66 Favored 'General case' 0 C--O 1.246 0.891 0 C-N-CA 123.067 0.547 . . . . 0.0 112.06 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 47.9 83.66 0.03 OUTLIER 'General case' 0 CA--C 1.506 -0.724 0 CA-C-O 122.41 1.1 . . . . 0.0 111.772 -171.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.602 ' CE3' HG21 ' A' ' 13' ' ' ILE . 32.5 m0 -128.68 176.0 8.14 Favored 'General case' 0 C--O 1.246 0.898 0 O-C-N 121.221 -0.925 . . . . 0.0 110.304 -177.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.34 65.78 0.64 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.063 0.935 . . . . 0.0 110.595 -177.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.515 ' H ' ' HD3' ' A' ' 27' ' ' LYS . 19.7 t -38.2 104.21 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.889 1.328 . . . . 0.0 111.835 174.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.474 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.584 0 CA-C-O 123.318 1.532 . . . . 0.0 112.191 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.132 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 39' ' ' ARG . 20.2 p -76.77 171.8 14.13 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 124.158 1.933 . . . . 0.0 114.222 -166.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.654 ' HB2' ' HB3' ' A' ' 39' ' ' ARG . 2.3 t70 -71.39 -36.04 71.27 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 114.574 -1.194 . . . . 0.0 112.179 -178.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.507 HG21 ' CE3' ' A' ' 36' ' ' TRP . 2.7 mm -59.33 -32.96 49.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 O-C-N 121.346 -0.846 . . . . 0.0 112.746 178.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.836 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 7.1 m -79.65 -36.62 37.55 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.146 0.498 . . . . 0.0 111.074 -173.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.65 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -54.89 -58.18 8.62 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-O 121.796 0.808 . . . . 0.0 111.802 170.888 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.26 -54.62 41.76 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-O 122.876 1.322 . . . . 0.0 110.184 -170.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.919 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -76.45 -20.9 56.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.04 -173.826 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.6 mttt 58.7 72.47 0.53 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 123.325 1.536 . . . . 0.0 109.284 -170.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.919 ' CD2' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -127.49 -179.49 4.94 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.134 -179.039 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -88.73 137.57 32.2 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 121.6 -0.688 . . . . 0.0 110.992 -174.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.836 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 20.8 t -143.0 77.14 1.56 Allowed 'General case' 0 C--O 1.249 1.071 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -172.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.63 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 5.9 p -43.44 -22.58 0.04 OUTLIER 'General case' 0 C--O 1.249 1.077 0 O-C-N 120.806 -1.184 . . . . 0.0 112.764 164.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 22' ' ' SER . 0.0 OUTLIER 68.81 30.23 4.84 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 122.951 1.358 . . . . 0.0 111.592 178.542 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.893 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.5 pt-20 -57.91 161.77 3.71 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 120.653 -1.28 . . . . 0.0 110.758 163.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 27.4 mtmt -135.32 154.26 78.55 Favored Pre-proline 0 C--O 1.243 0.728 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.235 -168.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.41 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 85.3 Cg_endo -65.19 -41.67 0.7 Allowed 'Cis proline' 0 N--CA 1.532 3.745 0 N-CA-C 115.436 1.283 . . . . 0.0 115.436 -3.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.937 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -106.33 145.08 32.11 Favored 'General case' 0 C--O 1.252 1.191 0 O-C-N 121.007 -1.058 . . . . 0.0 109.065 172.311 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.893 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.1 p -53.53 -178.29 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 123.068 1.413 . . . . 0.0 109.528 170.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.502 ' HB2' ' OE2' ' A' ' 24' ' ' GLU . . . -56.17 -43.72 78.63 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.454 1.121 . . . . 0.0 109.481 169.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.62 ' HD3' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -73.61 -36.9 65.56 Favored 'General case' 0 C--O 1.28 2.705 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -168.595 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.55 ' HB2' ' HB2' ' A' ' 27' ' ' LYS . 74.4 m -65.86 -39.47 90.75 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 122.765 2.53 . . . . 0.0 108.615 170.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.937 ' HB2' ' HD2' ' A' ' 27' ' ' LYS . 5.5 tt -56.22 -37.02 69.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.081 0.943 . . . . 0.0 110.287 177.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.98 -32.37 69.19 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.164 0.983 . . . . 0.0 110.692 -172.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.504 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 11.9 m-80 -112.02 3.91 17.74 Favored 'General case' 0 C--O 1.248 1.024 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.193 -173.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 52.87 82.65 0.07 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.387 1.089 . . . . 0.0 110.077 -171.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.507 ' CE3' HG21 ' A' ' 13' ' ' ILE . 22.6 m0 -127.06 173.09 9.95 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.816 0.817 . . . . 0.0 110.682 -175.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.22 60.99 0.72 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.367 0.604 . . . . 0.0 109.961 -177.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.43 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 23.8 t -39.45 105.89 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 123.316 1.531 . . . . 0.0 110.523 176.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.654 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 6.4 ttt180 . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.902 175.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.67 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 27.6 p -75.63 175.26 8.76 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 121.02 -1.05 . . . . 0.0 111.881 -170.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.767 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 3.4 t70 -60.22 -40.43 90.12 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.111 0.958 . . . . 0.0 110.945 176.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.583 HG21 ' CE3' ' A' ' 36' ' ' TRP . 2.0 mm -66.64 -29.88 47.91 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 O-C-N 121.611 -0.68 . . . . 0.0 112.624 -172.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.7 m -78.86 -34.19 45.23 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.367 1.08 . . . . 0.0 110.658 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.767 ' HG3' ' HA ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -50.85 -63.33 1.16 Allowed 'General case' 0 C--O 1.242 0.702 0 CA-C-O 123.168 1.461 . . . . 0.0 110.932 171.163 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.504 HD13 ' O ' ' A' ' 12' ' ' ASP . 4.0 mp -65.55 -50.56 64.72 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 120.712 -1.243 . . . . 0.0 110.578 -169.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.811 ' CB ' HD22 ' A' ' 19' ' ' LEU . 5.4 mmtm -76.63 -19.46 57.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.781 -173.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt 59.72 72.07 0.55 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 123.489 1.614 . . . . 0.0 109.489 -171.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.811 HD22 ' CB ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -122.94 178.28 5.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.547 -173.638 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -88.61 149.5 23.53 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.212 171.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 8.6 t -134.63 75.53 1.58 Allowed 'General case' 0 C--O 1.243 0.754 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -177.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.664 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 6.9 p -39.72 -22.65 0.01 OUTLIER 'General case' 0 C--O 1.245 0.855 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 170.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.664 ' HB2' ' O ' ' A' ' 22' ' ' SER . 19.7 mttt 86.43 0.56 0.6 Allowed 'General case' 0 C--O 1.251 1.182 0 C-N-CA 124.557 1.143 . . . . 0.0 113.452 170.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 1.047 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 4.3 pt-20 -46.22 159.29 0.08 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.917 1.341 . . . . 0.0 112.648 170.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 0.6 OUTLIER -138.61 149.35 62.18 Favored Pre-proline 0 C--O 1.244 0.791 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.81 -170.607 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.401 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 92.6 Cg_endo -65.64 -44.25 0.44 Allowed 'Cis proline' 0 N--CA 1.531 3.683 0 N-CA-C 115.527 1.318 . . . . 0.0 115.527 -3.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.488 ' HB2' ' HB2' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -96.07 140.21 31.12 Favored 'General case' 0 C--O 1.245 0.853 0 O-C-N 120.734 -1.229 . . . . 0.0 110.091 177.232 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 1.047 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 2.0 p -58.22 -173.71 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.52 1.152 . . . . 0.0 110.433 171.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.657 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -61.43 -40.74 95.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.742 1.258 . . . . 0.0 110.13 170.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.75 ' HE2' ' CD2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -48.13 -73.64 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 176.654 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.488 ' HB2' ' HB2' ' A' ' 27' ' ' LYS . 64.9 m -59.89 -38.22 81.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.36 -171.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -61.15 -37.97 84.75 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 122.04 0.924 . . . . 0.0 109.978 179.223 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.657 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 3.1 mttt -66.57 -30.54 70.86 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 123.229 1.49 . . . . 0.0 110.425 -178.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.535 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . 2.3 m120 -115.61 8.67 15.12 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 124.159 0.984 . . . . 0.0 113.389 -169.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.421 ' N ' HD22 ' A' ' 35' ' ' ASN . 0.0 OUTLIER 40.16 79.27 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 122.496 1.141 . . . . 0.0 111.433 -170.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.628 ' HZ3' ' HG3' ' A' ' 30' ' ' LYS . 21.0 m0 -122.49 177.31 5.47 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 124.108 0.963 . . . . 0.0 110.458 -173.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.67 63.22 0.72 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.207 1.003 . . . . 0.0 111.037 -178.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.427 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 10.2 t -45.17 108.2 0.12 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 123.056 1.407 . . . . 0.0 112.067 174.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.498 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--N 1.32 -0.678 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.436 167.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 120.66 0.267 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 39' ' ' ARG . 23.0 p -74.55 170.95 14.71 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 122.592 1.187 . . . . 0.0 112.496 -171.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -61.24 -53.08 61.34 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.182 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.735 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 1.4 mm -53.01 -28.76 14.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -172.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.511 ' SG ' HD12 ' A' ' 19' ' ' LEU . 5.5 m -79.36 -36.94 38.53 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.653 0.74 . . . . 0.0 110.883 -179.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.85 -64.05 0.94 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 123.468 1.604 . . . . 0.0 111.723 172.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mp -68.9 -46.37 68.52 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 120.356 -1.465 . . . . 0.0 110.424 -169.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 1.011 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 4.4 mttt -76.31 -16.94 59.66 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.506 -173.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 57.16 71.82 0.55 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 123.436 1.589 . . . . 0.0 110.172 -175.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.011 ' CD2' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -133.66 -179.1 5.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.973 -179.569 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HE2' ' HB3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.77 150.2 23.06 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.964 178.043 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.763 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 5.8 t -132.58 71.76 1.48 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.274 0.559 . . . . 0.0 112.234 -177.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.613 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.2 p -39.57 -23.38 0.01 OUTLIER 'General case' 0 C--O 1.246 0.901 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 169.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.763 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 18.6 mttt 87.72 2.45 0.38 Allowed 'General case' 0 C--O 1.252 1.191 0 C-N-CA 124.616 1.166 . . . . 0.0 113.76 168.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.975 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.5 pt-20 -45.57 157.74 0.09 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 122.663 1.221 . . . . 0.0 111.908 170.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -138.97 155.24 73.02 Favored Pre-proline 0 C--O 1.247 0.953 0 CA-C-N 115.08 -0.963 . . . . 0.0 111.396 -171.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.798 ' HG2' ' HD3' ' A' ' 27' ' ' LYS . 91.8 Cg_endo -65.0 -38.83 1.05 Allowed 'Cis proline' 0 N--CA 1.529 3.593 0 N-CA-C 115.968 1.488 . . . . 0.0 115.968 -3.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.798 ' HD3' ' HG2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -101.78 141.23 34.96 Favored 'General case' 0 C--O 1.25 1.104 0 O-C-N 121.391 -0.818 . . . . 0.0 110.102 172.581 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.975 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -55.84 -176.96 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.689 1.233 . . . . 0.0 110.104 171.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.744 ' O ' ' HG2' ' A' ' 33' ' ' LYS . . . -62.62 -39.78 94.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 123.408 1.575 . . . . 0.0 109.739 170.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.875 ' CG ' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -44.66 -72.95 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 174.739 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.465 ' HA ' ' HB2' ' A' ' 36' ' ' TRP . 61.9 m -59.1 -43.48 91.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.778 0.799 . . . . 0.0 110.442 -170.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -60.11 -33.33 71.98 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.077 0.942 . . . . 0.0 110.018 -176.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.744 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 1.2 mmtt -76.92 -28.13 55.16 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.138 0.97 . . . . 0.0 111.856 -175.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.458 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 13.4 m-80 -111.64 11.02 21.11 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.734 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 43.81 83.07 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.407 1.099 . . . . 0.0 111.274 -172.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.569 ' CE3' HG21 ' A' ' 13' ' ' ILE . 27.9 m0 -125.29 174.61 8.01 Favored 'General case' 0 C--O 1.248 0.998 0 O-C-N 121.173 -0.955 . . . . 0.0 110.033 -176.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -107.57 63.75 0.63 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 122.277 1.036 . . . . 0.0 110.511 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.8 t -37.44 110.71 0.13 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.793 1.282 . . . . 0.0 111.264 172.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.48 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 115.195 -0.912 . . . . 0.0 109.911 170.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.5 p -72.82 172.31 11.05 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 122.698 1.237 . . . . 0.0 112.733 -170.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.774 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 6.6 t0 -68.68 -41.26 79.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.499 -178.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.539 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.8 mm -59.73 -29.18 42.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -177.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.7 m -77.86 -33.16 52.27 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.939 1.352 . . . . 0.0 110.111 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.774 ' HG3' ' HA ' ' A' ' 12' ' ' ASP . 21.0 mtp180 -50.39 -63.84 1.0 Allowed 'General case' 0 C--O 1.242 0.68 0 CA-C-O 123.265 1.507 . . . . 0.0 111.091 170.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 12' ' ' ASP . 2.9 mp -65.21 -52.41 54.92 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 120.685 -1.259 . . . . 0.0 110.776 -168.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.78 ' HB2' HD22 ' A' ' 19' ' ' LEU . 5.1 mptt -75.71 -18.75 59.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.472 -173.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.0 mttp 59.02 74.22 0.45 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 123.892 1.806 . . . . 0.0 109.208 -171.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.78 HD22 ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -121.29 165.8 14.95 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.187 -1.369 . . . . 0.0 109.804 -178.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.758 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -87.58 135.61 33.28 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.568 0.699 . . . . 0.0 110.629 172.013 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.1 t -118.36 79.42 1.38 Allowed 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.844 -0.535 . . . . 0.0 112.392 -170.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.614 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 10.1 p -39.45 -29.71 0.05 Allowed 'General case' 0 C--O 1.243 0.74 0 O-C-N 121.425 -0.797 . . . . 0.0 112.882 168.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.614 ' HB2' ' O ' ' A' ' 22' ' ' SER . 2.9 mttp 87.88 7.9 0.18 Allowed 'General case' 0 C--O 1.255 1.384 0 C-N-CA 124.647 1.179 . . . . 0.0 113.717 169.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 1.014 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.5 pt-20 -46.35 156.37 0.17 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 122.783 1.277 . . . . 0.0 110.618 169.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.419 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 4.2 mttt -137.81 147.81 58.31 Favored Pre-proline 0 C--O 1.244 0.765 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.154 -168.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.419 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 97.5 Cg_endo -65.98 -42.21 0.67 Allowed 'Cis proline' 0 N--CA 1.531 3.705 0 N-CA-C 115.726 1.395 . . . . 0.0 115.726 -3.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.545 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -103.11 133.05 48.87 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 120.926 -1.109 . . . . 0.0 110.38 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 1.014 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -55.9 -175.49 0.01 OUTLIER 'General case' 0 C--O 1.241 0.639 0 CA-C-O 122.682 1.229 . . . . 0.0 110.205 173.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' A' ' 33' ' ' LYS . . . -58.2 -43.88 87.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.735 1.255 . . . . 0.0 109.873 170.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.53 ' HG3' ' HZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -53.1 -68.29 0.18 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 -178.162 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 55.5 m -57.22 -37.63 72.54 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.782 -0.574 . . . . 0.0 110.454 -175.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -59.73 -39.2 83.89 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 122.131 0.967 . . . . 0.0 110.192 179.117 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 29.9 mmtt -68.1 -31.47 71.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 123.16 1.457 . . . . 0.0 110.835 -177.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.546 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . 2.7 m120 -110.28 2.04 18.95 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-N 114.981 -1.008 . . . . 0.0 112.615 -170.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 47.98 78.32 0.08 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.607 1.194 . . . . 0.0 110.82 -171.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.546 ' CD2' ' HB2' ' A' ' 34' ' ' ASN . 18.0 m0 -126.0 178.22 5.88 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 123.695 0.798 . . . . 0.0 110.752 -172.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.635 ' HG2' ' HD3' ' A' ' 39' ' ' ARG . 6.1 tt0 -107.1 64.75 0.64 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.075 0.94 . . . . 0.0 111.59 -178.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.2 t -45.99 98.31 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.202 1.001 . . . . 0.0 111.435 172.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.635 ' HD3' ' HG2' ' A' ' 37' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.698 0 CA-C-O 122.842 1.306 . . . . 0.0 113.635 178.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.263 1.786 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 20.5 p -65.22 159.26 24.08 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 123.235 1.493 . . . . 0.0 113.124 -167.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' A' ' 16' ' ' LEU . 11.7 t70 -60.28 -32.08 70.85 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.401 -177.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.791 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -70.27 -33.21 53.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.451 0.643 . . . . 0.0 112.67 -176.459 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.595 ' HA ' HD12 ' A' ' 19' ' ' LEU . 2.5 m -82.68 -38.23 23.72 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.855 0.836 . . . . 0.0 111.453 -172.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -67.79 -59.01 3.65 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 172.112 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.498 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -48.11 -56.42 7.85 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 120.962 -1.086 . . . . 0.0 110.282 174.185 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.791 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 10.7 mmtt -78.02 -10.47 59.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.32 -176.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 mttm 58.21 29.07 17.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 123.98 1.848 . . . . 0.0 112.23 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.738 ' CD2' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -96.72 174.46 6.8 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.191 -1.368 . . . . 0.0 111.029 174.138 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mtmm -89.01 147.29 24.36 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.323 -172.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.488 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 8.5 t -124.6 94.76 4.29 Favored 'General case' 0 C--O 1.244 0.8 0 O-C-N 121.525 -0.734 . . . . 0.0 112.823 -171.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.2 p -49.99 -17.53 0.41 Allowed 'General case' 0 C--O 1.25 1.115 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 167.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 21' ' ' CYS . 0.9 OUTLIER 63.83 -4.39 0.36 Allowed 'General case' 0 C--O 1.263 1.814 0 N-CA-C 118.061 2.615 . . . . 0.0 118.061 -178.481 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 1.074 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.6 pt-20 -43.51 160.79 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 121.481 1.946 . . . . 0.0 110.73 170.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 1.9 mtpm? -136.08 149.98 69.87 Favored Pre-proline 0 C--O 1.242 0.68 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.424 -168.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.412 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 95.7 Cg_endo -66.36 -43.27 0.56 Allowed 'Cis proline' 0 N--CA 1.532 3.782 0 N-CA-C 115.754 1.405 . . . . 0.0 115.754 -3.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HA ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -100.25 139.04 36.49 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 120.981 -1.074 . . . . 0.0 109.53 175.547 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 1.074 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.5 p -53.88 179.53 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.798 1.285 . . . . 0.0 109.848 171.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.428 ' N ' ' CD ' ' A' ' 24' ' ' GLU . . . -51.23 -46.36 62.24 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.963 1.363 . . . . 0.0 109.555 171.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.586 ' HG2' ' HZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -69.62 -50.11 47.41 Favored 'General case' 0 C--O 1.266 1.948 0 N-CA-C 116.542 2.053 . . . . 0.0 116.542 -169.731 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.454 ' HA ' ' HB2' ' A' ' 36' ' ' TRP . 67.9 m -57.91 -38.88 76.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 120.321 1.419 . . . . 0.0 108.981 179.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.499 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.7 tm? -62.02 -36.53 81.84 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.424 0.631 . . . . 0.0 110.599 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -70.46 -29.71 66.33 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 123.294 1.521 . . . . 0.0 111.313 -178.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.493 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . 28.1 m120 -107.87 -1.32 20.87 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 124.696 1.198 . . . . 0.0 112.021 -172.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.29 78.19 0.09 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 122.905 1.336 . . . . 0.0 110.846 -170.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.586 ' HZ3' ' HG2' ' A' ' 30' ' ' LYS . 15.8 m0 -123.02 178.22 5.17 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 124.281 1.032 . . . . 0.0 110.423 -172.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.74 63.95 0.62 Allowed 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.174 -0.953 . . . . 0.0 111.45 -177.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.423 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 20.1 t -50.19 96.71 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.494 1.14 . . . . 0.0 111.731 175.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.321 -0.671 0 CA-C-O 123.325 1.536 . . . . 0.0 114.112 173.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.168 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.4 p -53.42 170.81 0.09 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 122.739 1.257 . . . . 0.0 112.007 -178.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -73.59 -29.07 62.17 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.929 -174.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.792 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 17.6 mm -74.19 -22.37 18.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.0 m -78.82 -37.04 41.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.179 0.99 . . . . 0.0 110.57 176.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.514 ' HG2' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -54.26 -61.86 2.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 123.148 1.451 . . . . 0.0 112.158 170.523 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.663 HD23 ' HA ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -68.64 -43.1 77.01 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 120.502 -1.374 . . . . 0.0 110.381 -169.538 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.898 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -77.92 -24.32 48.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.995 -176.665 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.735 ' C ' HD13 ' A' ' 19' ' ' LEU . 22.6 mtmm 59.1 73.31 0.49 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 123.546 1.641 . . . . 0.0 110.729 -170.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.898 ' CD2' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -127.54 -175.74 3.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 122.678 1.228 . . . . 0.0 109.78 172.662 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.9 153.73 20.41 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.861 170.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.659 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 2.0 t -126.07 80.26 1.9 Allowed 'General case' 0 C--N 1.32 -0.676 0 O-C-N 121.766 -0.584 . . . . 0.0 112.047 -178.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.62 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 4.9 p -39.94 -35.01 0.32 Allowed 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.508 -0.745 . . . . 0.0 112.65 170.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.659 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 10.1 mttt 84.64 76.64 0.02 OUTLIER 'General case' 0 C--O 1.269 2.114 0 C-N-CA 124.054 0.942 . . . . 0.0 111.065 169.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.958 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.6 pt-20 -132.25 167.63 19.5 Favored 'General case' 0 C--N 1.315 -0.893 0 O-C-N 118.196 -2.815 . . . . 0.0 109.438 -174.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 1.1 mttp -126.35 139.7 35.26 Favored Pre-proline 0 CA--C 1.509 -0.619 0 O-C-N 121.225 -0.922 . . . . 0.0 112.735 -168.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.61 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 87.0 Cg_endo -66.7 -47.86 0.25 Allowed 'Cis proline' 0 N--CA 1.535 3.946 0 N-CA-C 116.106 1.541 . . . . 0.0 116.106 -2.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.628 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -104.28 151.18 23.72 Favored 'General case' 0 C--O 1.255 1.359 0 O-C-N 120.672 -1.267 . . . . 0.0 109.748 -176.906 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.958 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -54.01 -175.57 0.01 OUTLIER 'General case' 0 C--O 1.248 0.978 0 CA-C-O 123.08 1.419 . . . . 0.0 109.148 169.365 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.674 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -59.02 -41.93 88.96 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 123.354 1.549 . . . . 0.0 109.658 168.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.851 ' HE2' ' HG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -48.49 -72.26 0.05 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 178.426 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.628 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 56.3 m -60.94 -39.36 89.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.47 -171.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.46 HD12 ' HG3' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -56.36 -40.94 75.34 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.24 1.019 . . . . 0.0 109.618 178.422 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.674 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 6.0 mttm -70.6 -30.21 66.82 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.357 1.075 . . . . 0.0 110.985 -174.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.478 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 0.9 OUTLIER -119.41 26.15 9.61 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.055 -174.583 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 40.02 66.84 0.54 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 125.306 2.479 . . . . 0.0 111.811 174.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.57 ' CE3' HG21 ' A' ' 13' ' ' ILE . 25.1 m0 -119.16 173.28 7.02 Favored 'General case' 0 C--O 1.248 0.994 0 O-C-N 120.438 -1.414 . . . . 0.0 110.228 -171.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.69 65.98 0.65 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.039 0.924 . . . . 0.0 110.783 -175.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.43 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 10.8 t -40.69 99.19 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.834 1.302 . . . . 0.0 111.375 172.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 39' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 124.543 2.116 . . . . 0.0 112.21 175.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.528 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.0 p -71.65 173.92 7.44 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 120.937 1.699 . . . . 0.0 110.916 -171.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.535 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 8.0 t70 -65.73 -48.39 72.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.534 0.683 . . . . 0.0 110.596 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.485 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.5 mm -49.23 -35.25 7.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -177.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.4 m -76.54 -35.71 58.09 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.282 1.039 . . . . 0.0 109.669 -177.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.684 ' CD ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -49.79 -59.9 3.39 Favored 'General case' 0 C--O 1.246 0.891 0 CA-C-O 122.974 1.369 . . . . 0.0 111.789 172.041 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.684 HD12 ' CD ' ' A' ' 15' ' ' ARG . 8.6 mp -68.08 -48.44 65.53 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 120.183 -1.573 . . . . 0.0 110.584 -167.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 1.011 ' HB2' HD22 ' A' ' 19' ' ' LEU . 13.7 mmmt -77.0 -17.9 58.56 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.691 -172.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.403 ' C ' HD13 ' A' ' 19' ' ' LEU . 22.6 mtmt 63.51 75.08 0.4 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 123.977 1.846 . . . . 0.0 109.281 -171.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.023 HD21 ' HE2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -129.75 168.89 15.84 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.161 -1.382 . . . . 0.0 110.121 -174.763 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 15.5 mtmt -89.14 156.86 18.54 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.478 169.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.4 t -140.35 78.44 1.66 Allowed 'General case' 0 C--O 1.246 0.879 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -173.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.6 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 6.3 p -39.17 -25.95 0.02 OUTLIER 'General case' 0 C--O 1.246 0.881 0 O-C-N 121.241 -0.912 . . . . 0.0 113.235 168.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.6 ' HB2' ' O ' ' A' ' 22' ' ' SER . 2.1 mttp 83.93 4.69 0.76 Allowed 'General case' 0 C--O 1.252 1.196 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 169.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 1.053 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.2 pt-20 -46.65 159.59 0.09 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.718 1.247 . . . . 0.0 111.612 171.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.418 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 5.7 mtpt -138.25 154.06 73.56 Favored Pre-proline 0 C--O 1.245 0.831 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.762 -170.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.465 ' HG2' ' HG3' ' A' ' 27' ' ' LYS . 81.6 Cg_endo -64.21 -41.04 0.7 Allowed 'Cis proline' 0 N--CA 1.529 3.608 0 N-CA-C 115.536 1.322 . . . . 0.0 115.536 -3.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.616 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -105.05 139.35 39.86 Favored 'General case' 0 C--O 1.246 0.878 0 O-C-N 121.082 -1.011 . . . . 0.0 110.203 174.394 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 1.053 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.7 p -54.28 -177.37 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.834 1.302 . . . . 0.0 109.891 171.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -52.56 -46.98 67.06 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.872 1.32 . . . . 0.0 109.678 170.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 1.023 ' HE2' HD21 ' A' ' 19' ' ' LEU . 9.0 tttt -68.75 -50.45 50.46 Favored 'General case' 0 C--O 1.262 1.747 0 N-CA-C 116.85 2.167 . . . . 0.0 116.85 -169.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.616 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 62.3 m -58.81 -38.35 78.44 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 120.331 -1.481 . . . . 0.0 109.02 177.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.728 HD23 ' O ' ' A' ' 32' ' ' LEU . 1.9 tt -60.47 -37.11 79.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.152 0.977 . . . . 0.0 110.304 177.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 18.3 mttp -70.33 -30.41 67.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.486 1.136 . . . . 0.0 111.362 -175.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.469 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 30.6 m-80 -114.86 7.7 15.78 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.922 -173.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 45.29 84.58 0.02 OUTLIER 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 122.117 0.96 . . . . 0.0 111.995 -171.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.582 ' CZ3' ' HG2' ' A' ' 30' ' ' LYS . 18.6 m0 -128.68 177.34 7.12 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.208 -0.933 . . . . 0.0 110.697 -171.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -106.94 64.16 0.64 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.18 0.99 . . . . 0.0 110.917 -179.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 20.5 t -43.46 94.83 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.511 1.148 . . . . 0.0 112.018 172.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.321 -0.643 0 CA-C-O 123.597 1.665 . . . . 0.0 113.068 -175.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.344 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 26.4 p -72.68 173.73 8.6 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 122.87 1.319 . . . . 0.0 113.425 -169.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.786 ' HB3' ' HB3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -57.88 -59.37 5.34 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.067 174.353 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.88 HG23 ' HD2' ' A' ' 17' ' ' LYS . 1.8 mm -51.4 -31.64 12.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -171.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.0 m -79.02 -33.46 44.86 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.734 1.254 . . . . 0.0 110.555 -177.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.763 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 50.2 mtp85 -51.61 -62.16 1.8 Allowed 'General case' 0 C--O 1.242 0.706 0 CA-C-O 123.037 1.399 . . . . 0.0 111.647 170.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.0 -50.78 64.95 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 120.608 -1.308 . . . . 0.0 110.499 -169.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 1.002 ' HD3' ' CD2' ' A' ' 19' ' ' LEU . 4.0 mtpp -77.0 -20.89 55.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.008 0.908 . . . . 0.0 111.911 -174.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.419 ' HE3' ' HB2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER 57.69 72.21 0.53 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 124.441 2.067 . . . . 0.0 108.949 -169.687 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.002 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -120.29 -176.86 3.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 113.692 -1.594 . . . . 0.0 110.563 -172.129 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -88.8 143.6 26.79 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.34 0.591 . . . . 0.0 111.39 173.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.48 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 7.7 t -134.56 77.88 1.72 Allowed 'General case' 0 C--O 1.242 0.676 0 O-C-N 121.717 -0.614 . . . . 0.0 112.507 -178.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.681 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 3.9 p -40.01 -29.47 0.07 Allowed 'General case' 0 C--O 1.246 0.885 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 170.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.681 ' HB2' ' O ' ' A' ' 22' ' ' SER . 35.8 mttt 86.31 79.11 0.02 OUTLIER 'General case' 0 C--O 1.273 2.334 0 C-N-CA 124.287 1.035 . . . . 0.0 111.33 170.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 1.009 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -141.34 167.65 21.66 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 118.05 -2.906 . . . . 0.0 110.199 -173.256 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -127.82 138.49 33.02 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-O 121.82 0.819 . . . . 0.0 112.159 -169.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -67.31 -47.97 0.25 Allowed 'Cis proline' 0 N--CA 1.536 3.99 0 N-CA-C 116.481 1.685 . . . . 0.0 116.481 -3.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.728 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -103.8 146.43 28.65 Favored 'General case' 0 C--O 1.252 1.209 0 O-C-N 120.675 -1.266 . . . . 0.0 109.647 -176.449 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 1.009 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.2 p -52.12 179.78 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 123.047 1.403 . . . . 0.0 109.356 170.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.06 -44.66 71.27 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 123.298 1.523 . . . . 0.0 109.344 169.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.903 ' HE2' ' HG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -67.84 -45.97 73.13 Favored 'General case' 0 C--O 1.27 2.142 0 N-CA-C 115.961 1.838 . . . . 0.0 115.961 -169.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.728 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 72.3 m -65.33 -38.06 88.99 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 120.146 -1.596 . . . . 0.0 108.51 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -38.01 73.22 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.324 1.059 . . . . 0.0 110.375 175.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -71.85 -27.78 63.11 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.251 -173.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.483 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 14.3 m-80 -118.88 9.14 11.88 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.291 -175.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 47.17 83.83 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 122.092 0.949 . . . . 0.0 111.085 -171.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.637 ' CH2' ' HE2' ' A' ' 17' ' ' LYS . 22.5 m0 -127.3 172.22 10.8 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.758 0.79 . . . . 0.0 110.343 -174.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 29.7 tt0 -102.21 58.83 0.82 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.969 0.89 . . . . 0.0 111.044 -172.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.2 t -47.46 111.18 0.38 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 123.342 1.544 . . . . 0.0 111.863 -177.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.786 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--O 1.245 0.838 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.579 168.399 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.263 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.8 p -78.01 177.11 8.55 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 120.694 -1.254 . . . . 0.0 111.249 -174.117 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -58.95 -39.31 81.28 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.577 0.703 . . . . 0.0 111.056 177.827 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.498 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.0 OUTLIER -65.8 -36.86 78.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -173.828 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.617 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 10.9 m -79.57 -35.71 39.35 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.36 1.076 . . . . 0.0 110.565 -174.324 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.977 ' CG ' HD23 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -52.17 -61.8 2.04 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 122.706 1.241 . . . . 0.0 111.313 170.497 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.977 HD23 ' CG ' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -62.14 -54.23 44.04 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.914 1.34 . . . . 0.0 110.338 -169.521 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.954 ' HB3' HD21 ' A' ' 19' ' ' LEU . 5.4 mmmt -77.9 -19.5 54.61 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.803 -172.128 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt 60.5 75.05 0.42 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 123.201 1.477 . . . . 0.0 109.487 -171.028 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.954 HD21 ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -131.61 -178.13 4.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.365 179.835 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -88.66 147.32 24.59 Favored 'General case' 0 C--O 1.243 0.726 0 O-C-N 121.649 -0.657 . . . . 0.0 111.372 -178.006 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.617 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 43.4 t -145.11 87.11 1.8 Allowed 'General case' 0 C--O 1.243 0.734 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -171.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.554 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 39.8 p -67.59 5.19 0.86 Allowed 'General case' 0 C--O 1.253 1.288 0 N-CA-C 116.491 2.034 . . . . 0.0 116.491 171.776 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' A' ' 22' ' ' SER . 0.0 OUTLIER 73.0 -8.17 1.34 Allowed 'General case' 0 C--O 1.257 1.457 0 N-CA-C 116.955 2.206 . . . . 0.0 116.955 169.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.98 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 3.0 pt-20 -41.4 153.41 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 123.378 1.561 . . . . 0.0 111.017 172.376 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 4.4 mttt -133.22 151.58 77.94 Favored Pre-proline 0 C--O 1.244 0.786 0 CA-C-N 114.661 -1.154 . . . . 0.0 112.151 -168.727 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.718 ' HG2' ' HE2' ' A' ' 27' ' ' LYS . 87.8 Cg_endo -64.6 -42.0 0.63 Allowed 'Cis proline' 0 N--CA 1.53 3.621 0 N-CA-C 115.144 1.171 . . . . 0.0 115.144 -3.426 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.718 ' HE2' ' HG2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -102.92 140.84 36.68 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.213 -0.929 . . . . 0.0 110.562 175.496 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.98 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -55.78 -175.43 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 122.639 1.209 . . . . 0.0 110.598 172.334 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.719 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -60.83 -40.21 91.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 123.168 1.461 . . . . 0.0 109.894 170.874 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.496 ' HG3' ' HZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -46.49 -72.93 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 114.644 1.349 . . . . 0.0 114.644 175.224 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.478 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 61.3 m -60.42 -40.26 90.36 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.806 -171.631 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 tt -56.6 -40.1 74.7 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.146 0.974 . . . . 0.0 109.571 179.313 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.719 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 25.9 mttp -71.27 -27.48 63.47 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.994 -174.395 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.408 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 29.9 m-80 -123.99 29.08 6.58 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -176.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 43.18 60.78 2.41 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 125.091 2.377 . . . . 0.0 113.414 171.338 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.498 ' CE3' HG21 ' A' ' 13' ' ' ILE . 25.6 m0 -114.75 172.0 7.3 Favored 'General case' 0 C--O 1.242 0.699 0 O-C-N 120.016 -1.677 . . . . 0.0 110.432 -169.856 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -105.95 62.17 0.66 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.593 0.711 . . . . 0.0 110.787 -174.669 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.4 t -43.61 97.56 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.31 1.052 . . . . 0.0 112.074 174.35 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 . . . . . 0 C--N 1.32 -0.686 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.789 171.901 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -77.2 175.04 10.05 Favored 'General case' 0 C--N 1.317 -0.829 0 O-C-N 120.953 -1.092 . . . . 0.0 111.292 -171.394 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -42.4 97.57 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.599 0.714 . . . . 0.0 110.758 177.405 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.503 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.3 mm -60.16 -34.23 56.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -173.134 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.421 ' HA ' HD22 ' A' ' 19' ' ' LEU . 99.1 m -78.85 -30.25 45.04 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 122.545 1.164 . . . . 0.0 110.485 -178.347 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.851 ' HG2' HD22 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -53.31 -59.45 4.55 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-O 122.326 1.06 . . . . 0.0 111.722 170.322 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.851 HD22 ' HG2' ' A' ' 15' ' ' ARG . 2.6 mm? -67.66 -51.99 43.29 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 120.612 -1.305 . . . . 0.0 110.903 -170.561 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.494 ' HE3' ' CZ2' ' A' ' 36' ' ' TRP . 10.3 mttt -70.12 -17.87 63.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.315 -177.903 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt 67.4 45.61 1.56 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 123.204 1.478 . . . . 0.0 113.312 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.679 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -98.67 -174.61 2.84 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.647 1.213 . . . . 0.0 109.96 170.354 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.516 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.1 OUTLIER -87.86 -151.96 0.2 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.039 170.303 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.739 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 6.2 t -174.31 89.92 0.06 Allowed 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 121.693 0.758 . . . . 0.0 113.029 170.674 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.431 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.6 p -43.5 -34.97 1.49 Allowed 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.246 -0.909 . . . . 0.0 113.245 168.617 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.739 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 9.1 mttt 88.54 12.02 0.09 Allowed 'General case' 0 C--O 1.256 1.446 0 C-N-CA 124.574 1.15 . . . . 0.0 113.459 170.91 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.865 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.5 pt-20 -46.71 150.61 0.68 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 119.639 1.108 . . . . 0.0 109.86 167.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.415 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 13.7 mttp -133.0 151.27 77.65 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-O 121.899 0.857 . . . . 0.0 112.48 -166.221 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.415 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 94.4 Cg_endo -65.82 -43.05 0.56 Allowed 'Cis proline' 0 N--CA 1.532 3.774 0 N-CA-C 115.698 1.384 . . . . 0.0 115.698 -3.478 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.66 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 11.8 mtmt -99.64 137.05 38.66 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 120.907 -1.121 . . . . 0.0 109.635 175.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.865 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -53.54 -179.64 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.887 1.327 . . . . 0.0 109.786 171.712 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -51.6 -46.26 63.49 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 123.02 1.39 . . . . 0.0 109.715 170.568 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.589 ' HG2' ' HZ3' ' A' ' 36' ' ' TRP . 2.4 tttp -67.84 -52.54 35.66 Favored 'General case' 0 C--O 1.262 1.726 0 N-CA-C 116.571 2.063 . . . . 0.0 116.571 -169.372 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.66 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 60.1 m -56.97 -41.12 77.78 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 120.385 -1.447 . . . . 0.0 108.986 177.913 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.562 ' O ' HD13 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -60.75 -36.06 77.96 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 122.147 0.975 . . . . 0.0 109.866 -178.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 9.5 mttp -73.8 -28.92 61.89 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.548 1.166 . . . . 0.0 111.814 -174.349 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.461 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 32.2 m-20 -111.72 4.33 18.43 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 123.676 0.79 . . . . 0.0 111.742 -175.902 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 51.16 83.5 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.204 1.002 . . . . 0.0 110.565 -173.064 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.589 ' HZ3' ' HG2' ' A' ' 30' ' ' LYS . 25.1 m0 -129.46 177.47 7.17 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.769 0.795 . . . . 0.0 110.566 -174.344 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.55 65.34 0.64 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.85 0.833 . . . . 0.0 111.264 -179.76 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.414 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 16.0 t -45.07 97.11 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.787 0.803 . . . . 0.0 111.151 171.684 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.529 0 CA-C-O 122.288 1.042 . . . . 0.0 113.677 175.43 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.557 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.3 p -77.66 174.55 10.81 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 120.931 1.696 . . . . 0.0 111.797 -169.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.762 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 0.9 OUTLIER -61.94 -30.8 71.15 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.354 -0.841 . . . . 0.0 112.179 177.868 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.615 HG22 HD11 ' A' ' 19' ' ' LEU . 8.5 mm -76.1 -30.9 20.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -172.139 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.632 ' SG ' HD12 ' A' ' 19' ' ' LEU . 2.6 m -80.02 -39.29 30.24 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.422 -0.799 . . . . 0.0 110.578 -178.229 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.762 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 2.0 ptm180 -54.11 -59.08 5.13 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-O 122.515 1.15 . . . . 0.0 111.45 170.481 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.499 ' HG ' ' N ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -63.0 -52.43 63.01 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 120.279 -1.513 . . . . 0.0 109.998 -169.268 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.766 ' CB ' HD21 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -78.9 -20.44 49.4 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.079 -172.348 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt 61.04 75.36 0.41 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 123.445 1.593 . . . . 0.0 109.482 -170.295 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.065 HD13 ' HG2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -130.28 -176.91 4.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.66 -1.154 . . . . 0.0 110.307 177.543 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.522 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 1.2 ptmt -88.57 141.69 28.32 Favored 'General case' 0 C--O 1.244 0.795 0 O-C-N 121.766 -0.584 . . . . 0.0 111.21 178.509 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.518 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 7.0 t -134.78 65.87 1.55 Allowed 'General case' 0 C--O 1.242 0.674 0 CA-C-O 122.124 0.964 . . . . 0.0 112.78 -173.842 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.641 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -44.51 -12.18 0.01 OUTLIER 'General case' 0 C--O 1.253 1.266 0 O-C-N 121.087 -1.008 . . . . 0.0 113.254 168.079 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.641 ' HB2' ' O ' ' A' ' 22' ' ' SER . 20.1 mttt 84.34 -6.43 1.03 Allowed 'General case' 0 C--O 1.253 1.248 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 165.904 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 1.023 ' HG2' ' HA ' ' A' ' 28' ' ' CYS . 2.0 pm0 -42.23 158.22 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 123.386 1.565 . . . . 0.0 113.215 177.388 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 0.8 OUTLIER -134.93 156.14 78.68 Favored Pre-proline 0 C--O 1.246 0.91 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.704 -171.126 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.434 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 80.4 Cg_endo -63.04 -40.34 0.7 Allowed 'Cis proline' 0 N--CA 1.53 3.627 0 N-CA-C 115.379 1.261 . . . . 0.0 115.379 -2.62 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.904 ' HE3' ' CB ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -107.3 142.46 37.04 Favored 'General case' 0 C--O 1.251 1.152 0 O-C-N 121.291 -0.88 . . . . 0.0 110.093 173.313 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 1.023 ' HA ' ' HG2' ' A' ' 24' ' ' GLU . 1.7 p -54.02 -174.56 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.906 1.336 . . . . 0.0 110.355 170.507 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.85 -42.39 89.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 123.244 1.497 . . . . 0.0 109.657 170.281 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 1.065 ' HG2' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -46.05 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 176.093 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.863 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 58.2 m -60.75 -39.66 89.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.613 -170.737 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.84 -37.37 79.07 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 122.249 1.024 . . . . 0.0 109.914 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -71.59 -27.99 63.52 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.134 0.968 . . . . 0.0 111.3 -174.908 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.501 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 41.0 m-80 -115.63 5.49 14.33 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.68 -175.135 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 49.82 82.61 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 122.159 0.981 . . . . 0.0 110.699 -171.281 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.837 ' CZ3' ' HE2' ' A' ' 30' ' ' LYS . 31.7 m0 -127.26 172.66 10.4 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.849 0.833 . . . . 0.0 110.211 -176.809 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -103.35 60.23 0.76 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.857 0.837 . . . . 0.0 110.566 -176.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.904 ' CB ' ' HE3' ' A' ' 27' ' ' LYS . 13.7 t -36.36 95.68 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 123.984 0.914 . . . . 0.0 112.582 172.345 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.654 0 CA-C-O 125.24 2.448 . . . . 0.0 112.38 179.688 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.229 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.9 p -69.21 175.47 3.86 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 122.512 1.149 . . . . 0.0 111.366 -170.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.908 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -70.5 -35.9 73.48 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 121.4 -0.812 . . . . 0.0 112.568 -175.548 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.689 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 2.3 mm -72.68 -28.35 27.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.559 0.695 . . . . 0.0 112.175 -172.103 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.3 m -78.47 -35.03 47.17 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.811 0.815 . . . . 0.0 110.567 178.059 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 1.031 ' HG3' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -53.4 -62.0 1.94 Allowed 'General case' 0 C--O 1.245 0.85 0 CA-C-O 122.423 1.106 . . . . 0.0 111.487 172.07 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 1.031 HD13 ' HG3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -70.14 -42.65 72.27 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.974 1.369 . . . . 0.0 110.326 -169.168 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.689 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 1.4 tptt -76.11 -22.35 55.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.991 -175.048 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.6 mttm 60.12 72.83 0.51 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 124.859 2.266 . . . . 0.0 109.626 -171.696 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.67 HD13 ' HB3' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -127.38 174.53 8.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 113.576 -1.647 . . . . 0.0 110.217 -173.128 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.93 143.84 26.59 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.323 170.43 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 t -127.73 76.93 1.72 Allowed 'General case' 0 C--O 1.243 0.744 0 CA-C-O 121.588 0.709 . . . . 0.0 112.461 -172.675 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.602 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.9 p -44.23 -13.72 0.02 OUTLIER 'General case' 0 C--O 1.245 0.844 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 167.099 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.602 ' HB2' ' O ' ' A' ' 22' ' ' SER . 7.3 mttt 91.02 -46.23 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 125.079 1.352 . . . . 0.0 113.311 169.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.838 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 3.3 pt-20 -21.14 144.01 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 126.321 2.962 . . . . 0.0 115.885 -165.122 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 8.5 mttt -117.73 148.73 43.75 Favored Pre-proline 0 CA--C 1.51 -0.584 0 O-C-N 119.802 -1.811 . . . . 0.0 112.66 -165.656 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.424 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 97.7 Cg_endo -65.6 -41.75 0.71 Allowed 'Cis proline' 0 N--CA 1.534 3.872 0 N-CA-C 115.876 1.452 . . . . 0.0 115.876 -3.372 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.485 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -106.7 139.69 40.73 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 121.198 -0.939 . . . . 0.0 110.21 177.215 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.838 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -55.23 179.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 122.505 1.145 . . . . 0.0 110.608 176.16 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.77 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -56.05 -40.69 73.91 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 123.52 1.629 . . . . 0.0 109.408 170.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.622 ' HE2' ' CD2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -50.68 -70.42 0.09 Allowed 'General case' 0 C--O 1.239 0.531 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 177.898 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.453 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 57.3 m -58.28 -40.65 82.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.465 0.65 . . . . 0.0 110.483 -173.018 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.689 HD22 ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -58.33 -38.29 76.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 122.243 1.02 . . . . 0.0 110.517 179.423 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.77 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 16.0 mtmt -71.64 -28.94 64.11 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.117 0.961 . . . . 0.0 111.205 -174.673 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.493 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 36.2 m-80 -112.61 4.09 17.06 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.485 -174.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 51.74 82.35 0.07 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.194 0.997 . . . . 0.0 110.4 -171.885 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.663 ' CE3' HG21 ' A' ' 13' ' ' ILE . 24.9 m0 -129.05 175.15 8.91 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.775 0.798 . . . . 0.0 110.721 -175.053 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -104.3 76.77 1.35 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.953 0.882 . . . . 0.0 110.499 177.221 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.485 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 17.6 t -52.79 95.27 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.209 1.004 . . . . 0.0 110.823 171.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.583 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 1.5 ttm-85 . . . . . 0 C--N 1.319 -0.718 0 CA-C-O 124.18 1.943 . . . . 0.0 112.121 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.4 mmt . . . . . 0 C--O 1.24 0.569 0 CA-C-O 121.549 0.69 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.31 118.08 2.55 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.91 0.862 . . . . 0.0 111.372 -174.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 73.43 139.07 0.06 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.956 0.884 . . . . 0.0 111.232 172.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.8 mt -147.06 -48.7 0.18 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.788 0.804 . . . . 0.0 110.879 177.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.97 179.58 5.93 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.857 0.837 . . . . 0.0 111.059 -176.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.4 -156.62 0.02 OUTLIER 'General case' 0 C--O 1.244 0.79 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.557 178.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.54 HD13 ' C ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -148.79 25.51 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.793 0 CA-C-O 122.195 0.998 . . . . 0.0 110.582 173.191 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -145.46 88.32 1.85 Allowed 'General case' 0 C--N 1.32 -0.674 0 O-C-N 120.833 -1.167 . . . . 0.0 109.88 171.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 1.022 ' HB3' ' HD3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -75.12 125.47 29.0 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.087 -170.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' A' ' 9' ' ' GLN . . . 177.04 123.14 0.03 OUTLIER 'General case' 0 C--O 1.263 1.774 0 CA-C-O 118.593 -0.718 . . . . 0.0 109.89 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.804 ' HA ' ' HB3' ' A' ' 40' ' ' TYR . 31.5 p -72.66 170.16 15.1 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 121.195 1.816 . . . . 0.0 112.578 -168.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.673 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -58.47 -42.69 88.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.158 0.98 . . . . 0.0 110.54 -179.556 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.616 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.0 OUTLIER -65.43 -28.59 44.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.491 0.662 . . . . 0.0 112.658 -172.597 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.8 m -77.85 -32.82 52.28 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.859 1.314 . . . . 0.0 110.264 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.673 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -49.19 -64.6 0.76 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 123.688 1.709 . . . . 0.0 110.816 170.626 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.61 HD12 ' O ' ' A' ' 12' ' ' ASP . 2.2 mp -66.34 -51.39 57.7 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 120.515 -1.365 . . . . 0.0 110.743 -168.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.914 ' HB2' HD22 ' A' ' 19' ' ' LEU . 10.2 mmtm -75.81 -18.47 59.48 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.828 -172.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? 60.42 72.9 0.5 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 123.506 1.622 . . . . 0.0 109.311 -170.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.914 HD22 ' HB2' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -127.31 156.5 41.85 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.733 -176.066 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.72 146.85 35.7 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.447 0.641 . . . . 0.0 110.907 172.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.558 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 24.9 t -130.71 80.05 1.93 Allowed 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.728 -0.607 . . . . 0.0 112.14 -171.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.574 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 6.3 p -40.44 -26.93 0.04 OUTLIER 'General case' 0 C--O 1.247 0.95 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 169.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 1.022 ' HD3' ' HB3' ' A' ' 9' ' ' GLN . 13.7 mttt 84.89 9.19 0.4 Allowed 'General case' 0 C--O 1.251 1.168 0 O-C-N 120.834 -1.166 . . . . 0.0 113.61 170.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.96 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.7 pt-20 -46.29 152.91 0.38 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 122.472 1.13 . . . . 0.0 110.407 168.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.584 ' HE2' ' HE2' ' A' ' 40' ' ' TYR . 66.9 mttt -133.79 147.43 64.31 Favored Pre-proline 0 C--O 1.242 0.68 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.125 -167.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.567 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 98.2 Cg_endo -66.34 -45.21 0.36 Allowed 'Cis proline' 0 N--CA 1.532 3.742 0 N-CA-C 115.752 1.405 . . . . 0.0 115.752 -3.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.668 ' HD3' ' HB3' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -98.94 137.77 37.01 Favored 'General case' 0 C--O 1.245 0.835 0 O-C-N 120.623 -1.298 . . . . 0.0 110.066 178.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.96 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -57.35 -174.18 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.527 1.156 . . . . 0.0 110.446 174.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.597 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -63.25 -40.18 96.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 123.205 1.478 . . . . 0.0 109.943 170.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.587 ' HG3' ' HZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -45.86 -71.64 0.07 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 175.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.489 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 83.5 m -60.66 -39.87 89.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.551 -172.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 32' ' ' LEU . 2.9 tt -57.89 -37.11 73.38 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.301 1.048 . . . . 0.0 110.08 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.597 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 6.2 mtpp -71.9 -30.87 65.84 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.068 0.937 . . . . 0.0 111.15 -173.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.491 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 12.7 m-80 -112.5 5.76 18.16 Favored 'General case' 0 C--O 1.249 1.042 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.218 -175.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 51.43 82.37 0.06 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 122.464 1.126 . . . . 0.0 110.454 -171.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.616 ' CE3' HG21 ' A' ' 13' ' ' ILE . 29.7 m0 -128.27 173.16 10.39 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-O 121.625 0.726 . . . . 0.0 110.395 -176.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -106.02 64.23 0.68 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.801 0.81 . . . . 0.0 110.557 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.668 ' HB3' ' HD3' ' A' ' 27' ' ' LYS . 9.8 t -44.96 97.99 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.458 1.123 . . . . 0.0 112.009 175.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.03 94.75 4.54 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.911 172.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.804 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 0.4 OUTLIER -99.07 55.05 1.0 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 122.966 1.365 . . . . 0.0 110.151 171.331 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.2 t -154.74 83.01 4.03 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-O 121.994 0.902 . . . . 0.0 110.464 171.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -41.81 -81.8 0.02 OUTLIER 'Trans proline' 0 N--CA 1.528 3.541 1 C-N-CA 126.666 4.91 . . . . 0.0 115.584 -176.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tptp . . . . . 0 C--O 1.27 2.169 0 CA-C-O 122.046 0.927 . . . . 0.0 111.167 -172.076 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.513 -0.457 0 CA-C-O 121.584 0.707 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.481 ' HB3' HD12 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -41.51 -83.3 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 123.449 0.7 . . . . 0.0 112.243 177.504 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.576 ' O ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -165.35 179.45 6.19 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.712 -0.618 . . . . 0.0 111.219 176.753 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.646 HD23 ' C ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER 114.93 26.91 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 127.539 2.335 . . . . 0.0 111.084 -175.378 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.73 -50.84 0.55 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.316 0.579 . . . . 0.0 111.279 -177.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 p 53.0 35.76 20.27 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.196 0.998 . . . . 0.0 111.043 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 162.49 135.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.256 1.443 0 C-N-CA 123.451 0.7 . . . . 0.0 109.312 -171.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.29 54.96 1.45 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 119.64 1.109 . . . . 0.0 112.469 -171.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.591 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.9 mt-30 -82.96 -174.34 5.22 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.659 168.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 9' ' ' GLN . . . 69.63 128.83 0.03 OUTLIER 'General case' 0 C--O 1.257 1.495 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 -167.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 39' ' ' ARG . 30.4 p -72.43 175.06 6.55 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 120.264 1.393 . . . . 0.0 113.433 -166.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.683 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 9.9 t70 -59.03 -49.28 78.49 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.069 175.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.601 HG21 ' CE3' ' A' ' 36' ' ' TRP . 3.0 mm -56.28 -30.58 30.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -172.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.2 m -77.42 -30.74 53.64 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 123.083 1.42 . . . . 0.0 109.899 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.683 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 0.3 OUTLIER -52.36 -62.82 1.4 Allowed 'General case' 0 C--O 1.241 0.609 0 CA-C-O 122.849 1.309 . . . . 0.0 111.694 170.077 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.92 -52.65 58.84 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.457 1.123 . . . . 0.0 110.728 -169.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.917 ' HB2' HD22 ' A' ' 19' ' ' LEU . 5.0 mmmt -74.97 -21.15 59.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 122.103 0.954 . . . . 0.0 111.655 -175.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' C ' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER 56.18 74.95 0.37 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 124.715 2.198 . . . . 0.0 108.914 -169.848 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.917 HD22 ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -120.24 178.18 4.74 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 113.38 -1.736 . . . . 0.0 109.899 179.613 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -89.04 151.26 22.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.775 170.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.1 t -130.88 78.77 1.86 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.321 0.581 . . . . 0.0 112.526 -175.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.65 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 10.3 p -39.47 -29.86 0.06 Allowed 'General case' 0 C--O 1.244 0.77 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 169.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.65 ' HB2' ' O ' ' A' ' 22' ' ' SER . 7.7 mttp 87.64 7.52 0.2 Allowed 'General case' 0 C--O 1.252 1.191 0 C-N-CA 124.4 1.08 . . . . 0.0 113.737 169.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 1.148 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.8 pt-20 -44.66 159.56 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 122.659 1.219 . . . . 0.0 111.252 170.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.35 145.85 51.38 Favored Pre-proline 0 C--O 1.244 0.807 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.442 -169.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.485 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 99.0 Cg_endo -66.6 -45.9 0.33 Allowed 'Cis proline' 0 N--CA 1.531 3.705 0 N-CA-C 115.745 1.402 . . . . 0.0 115.745 -3.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.485 ' HG2' ' HG2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -96.52 138.04 34.7 Favored 'General case' 0 C--O 1.251 1.161 0 O-C-N 120.603 -1.311 . . . . 0.0 109.541 179.621 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 1.148 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -56.25 -172.2 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 123.2 1.476 . . . . 0.0 110.359 172.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.742 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -63.63 -40.02 95.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 122.627 1.203 . . . . 0.0 110.578 170.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.898 ' HD3' HD23 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -46.78 -72.57 0.05 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 173.605 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.415 ' HA ' ' HB2' ' A' ' 36' ' ' TRP . 35.4 m -72.23 -13.21 61.47 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.241 1.019 . . . . 0.0 113.706 -168.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -76.84 -43.63 35.45 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 119.984 -1.697 . . . . 0.0 110.241 167.757 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.742 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 4.5 mttm -69.2 -27.73 65.76 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.536 1.16 . . . . 0.0 111.292 -171.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.503 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 19.0 m-80 -114.66 -3.07 12.91 Favored 'General case' 0 C--O 1.254 1.337 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -171.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 59.33 51.96 6.34 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 125.081 2.372 . . . . 0.0 109.419 -175.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.601 ' CE3' HG21 ' A' ' 13' ' ' ILE . 42.9 m0 -98.83 172.86 7.17 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 114.228 -1.351 . . . . 0.0 110.881 169.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -108.24 71.24 0.79 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.008 0.908 . . . . 0.0 110.858 -173.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.417 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 10.6 t -45.67 107.05 0.09 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.929 1.347 . . . . 0.0 111.4 177.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.502 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -96.37 148.42 22.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.712 169.878 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -141.73 106.35 4.87 Favored 'General case' 0 C--O 1.248 1.012 0 O-C-N 121.575 -0.703 . . . . 0.0 110.907 -172.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.565 ' CB ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER 59.01 -175.55 0.03 OUTLIER Pre-proline 0 C--N 1.318 -0.798 0 CA-C-O 122.083 0.944 . . . . 0.0 111.88 170.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.565 ' CD ' ' CB ' ' A' ' 41' ' ' SER . 50.1 Cg_exo -59.27 -83.01 0.01 OUTLIER 'Trans proline' 0 N--CA 1.529 3.588 1 C-N-CA 126.538 4.825 . . . . 0.0 114.934 177.529 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.412 ' H ' ' HB2' ' A' ' 42' ' ' PRO . 74.9 mttt . . . . . 0 C--O 1.27 2.144 0 CA-C-O 121.953 0.882 . . . . 0.0 111.053 -172.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.4 mtp . . . . . 0 CA--C 1.511 -0.521 0 CA-C-O 121.612 0.72 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -127.43 122.67 34.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.992 0.901 . . . . 0.0 111.305 -172.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.48 -7.96 4.16 Favored 'General case' 0 C--O 1.247 0.939 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 172.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.64 29.5 0.47 Allowed 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.35 -0.844 . . . . 0.0 110.999 -174.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 6' ' ' SER . 8.2 t -152.63 95.33 2.0 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.823 0.821 . . . . 0.0 111.332 -173.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 5' ' ' SER . 24.9 m 72.2 -166.61 0.13 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.103 0.954 . . . . 0.0 111.704 172.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.61 HG23 ' O ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -173.5 65.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 123.049 1.404 . . . . 0.0 110.454 -172.517 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.69 7.67 8.04 Favored 'General case' 0 C--O 1.246 0.91 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -168.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.558 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 4.5 mt-30 -84.63 -171.86 3.86 Favored 'General case' 0 C--N 1.316 -0.868 0 O-C-N 121.48 -0.762 . . . . 0.0 112.397 -172.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 9' ' ' GLN . . . 70.07 114.92 0.04 OUTLIER 'General case' 0 C--O 1.258 1.55 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -168.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.918 ' HA ' ' HB2' ' A' ' 40' ' ' TYR . 31.3 p -77.36 174.97 10.2 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 120.82 1.645 . . . . 0.0 113.452 -166.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.825 ' HA ' ' HD2' ' A' ' 15' ' ' ARG . 8.1 t70 -54.78 -43.32 72.7 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-O 122.35 1.071 . . . . 0.0 111.468 176.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.533 HG21 ' CE3' ' A' ' 36' ' ' TRP . 2.4 mm -65.18 -27.24 41.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -175.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.6 m -77.97 -36.42 49.05 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.395 0.617 . . . . 0.0 110.508 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.825 ' HD2' ' HA ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -52.4 -59.09 4.84 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-O 122.322 1.058 . . . . 0.0 111.452 171.139 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.78 -52.28 61.03 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 120.576 -1.327 . . . . 0.0 110.517 -168.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.845 ' HB2' HD22 ' A' ' 19' ' ' LEU . 2.3 mptp? -76.41 -20.07 57.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.133 -0.939 . . . . 0.0 111.791 -173.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? 61.08 71.54 0.56 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 123.737 1.732 . . . . 0.0 109.298 -171.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.845 HD22 ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -124.18 164.58 19.2 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.294 -1.321 . . . . 0.0 109.982 -172.496 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' H ' ' HG3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.14 138.93 31.01 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.408 0.623 . . . . 0.0 110.931 172.157 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.584 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 5.6 t -119.05 82.08 1.81 Allowed 'General case' 0 C--N 1.32 -0.701 0 O-C-N 121.881 -0.512 . . . . 0.0 112.251 -172.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.613 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.8 p -39.9 -29.54 0.07 Allowed 'General case' 0 C--O 1.244 0.782 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 169.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.613 ' HB2' ' O ' ' A' ' 22' ' ' SER . 24.8 mttp 86.02 11.8 0.2 Allowed 'General case' 0 C--O 1.251 1.171 0 C-N-CA 124.635 1.174 . . . . 0.0 113.923 169.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 1.015 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 3.0 pt-20 -52.04 161.44 0.59 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 123.291 1.52 . . . . 0.0 113.019 168.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.594 ' HG2' ' OH ' ' A' ' 40' ' ' TYR . 17.8 mtpp -135.53 149.33 69.07 Favored Pre-proline 0 C--O 1.245 0.832 0 CA-C-N 114.51 -1.223 . . . . 0.0 112.483 -170.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -66.36 -44.07 0.47 Allowed 'Cis proline' 0 N--CA 1.532 3.764 0 N-CA-C 115.73 1.396 . . . . 0.0 115.73 -3.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.32 139.41 35.02 Favored 'General case' 0 C--O 1.25 1.095 0 O-C-N 120.914 -1.116 . . . . 0.0 109.458 177.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 1.015 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.4 p -54.19 178.74 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 122.642 1.211 . . . . 0.0 110.27 173.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.744 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -58.88 -39.16 80.56 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 123.734 1.73 . . . . 0.0 109.045 171.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.77 ' HE2' ' CD2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -45.73 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 174.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.454 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 63.1 m -61.24 -41.49 96.98 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.431 -170.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.467 HD13 ' C ' ' A' ' 32' ' ' LEU . 1.4 tm? -59.04 -35.22 72.94 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.049 0.928 . . . . 0.0 110.637 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.744 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 2.1 mtmp? -73.17 -29.78 63.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.134 0.968 . . . . 0.0 111.51 -176.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.469 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 43.5 m-80 -111.96 8.01 20.11 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.119 -177.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 45.35 81.4 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.222 1.011 . . . . 0.0 111.302 -171.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.634 ' HZ3' ' HG3' ' A' ' 30' ' ' LYS . 17.9 m0 -123.68 -178.08 3.92 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.824 0.821 . . . . 0.0 110.466 -172.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -108.0 84.92 2.03 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.795 0.807 . . . . 0.0 111.572 173.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.3 t -63.07 91.81 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.998 0.904 . . . . 0.0 111.045 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.82 83.32 2.92 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 123.449 1.595 . . . . 0.0 110.759 172.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.918 ' HB2' ' HA ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -138.61 149.88 45.71 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 114.792 -1.094 . . . . 0.0 111.593 -169.193 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 1.044 ' HB3' ' HD2' ' A' ' 42' ' ' PRO . 13.2 m 64.91 -168.05 0.01 OUTLIER Pre-proline 0 C--N 1.321 -0.64 0 CA-C-O 121.146 0.498 . . . . 0.0 110.58 175.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 1.044 ' HD2' ' HB3' ' A' ' 41' ' ' SER . 0.3 OUTLIER -28.8 -58.88 0.12 Allowed 'Trans proline' 0 N--CA 1.532 3.748 1 C-N-CA 126.441 4.761 . . . . 0.0 115.015 178.605 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.4 tttm . . . . . 0 C--O 1.27 2.15 0 CA-C-O 122.104 0.954 . . . . 0.0 110.714 171.911 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.8 mmm . . . . . 0 CA--C 1.511 -0.553 0 CA-C-O 121.892 0.853 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.73 30.79 0.08 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.694 0.759 . . . . 0.0 111.036 173.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.22 141.68 57.34 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.683 0.754 . . . . 0.0 110.688 -177.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 52.83 -96.3 0.05 Allowed 'General case' 0 C--O 1.244 0.773 0 O-C-N 121.996 -0.44 . . . . 0.0 110.363 -172.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 44.89 -153.95 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.473 0.654 . . . . 0.0 111.36 -178.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -131.61 94.58 3.55 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 121.623 -0.673 . . . . 0.0 110.52 171.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.401 ' CB ' ' O ' ' A' ' 6' ' ' SER . 0.0 OUTLIER 159.04 -20.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 C-N-CA 125.239 1.416 . . . . 0.0 112.881 174.054 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.648 ' OE1' ' HE3' ' A' ' 23' ' ' LYS . 2.9 tp10 -90.13 83.94 6.08 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 123.434 1.587 . . . . 0.0 110.319 177.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.622 ' O ' ' HE2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -61.72 150.47 36.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 122.869 1.319 . . . . 0.0 111.789 -172.808 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' N ' ' HG3' ' A' ' 9' ' ' GLN . . . -146.03 147.5 31.7 Favored 'General case' 0 C--O 1.247 0.947 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 171.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.541 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 16.7 p -58.91 171.27 0.7 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 122.475 1.131 . . . . 0.0 112.499 -169.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.825 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 8.6 t0 -58.78 -58.33 9.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.106 -174.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 1.034 HG12 HD21 ' A' ' 16' ' ' LEU . 3.8 mt -73.81 -10.48 13.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -169.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.1 m -76.98 -28.11 54.98 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 123.887 1.803 . . . . 0.0 108.551 167.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.825 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -63.19 -61.13 2.57 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-N 114.955 -1.021 . . . . 0.0 112.998 167.638 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.034 HD21 HG12 ' A' ' 13' ' ' ILE . 3.0 pp -68.55 -42.06 78.91 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 123.645 1.688 . . . . 0.0 109.639 -169.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.784 ' HB3' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -78.27 -25.65 46.84 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 114.295 -1.321 . . . . 0.0 111.885 -174.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.89 71.75 0.55 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 123.747 1.737 . . . . 0.0 109.575 -169.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.784 HD22 ' HB3' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -125.79 -177.67 4.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.33 -1.304 . . . . 0.0 110.515 -174.799 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt -89.0 147.92 24.03 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.002 171.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.796 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 5.5 t -137.63 68.81 1.4 Allowed 'General case' 0 C--O 1.245 0.817 0 CA-C-O 121.268 0.556 . . . . 0.0 112.386 -178.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.636 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 6.3 p -39.41 -24.57 0.01 OUTLIER 'General case' 0 C--O 1.245 0.847 0 O-C-N 121.339 -0.85 . . . . 0.0 112.93 168.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.796 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 5.0 mtpm? 86.77 8.63 0.23 Allowed 'General case' 0 C--O 1.253 1.244 0 C-N-CA 124.552 1.141 . . . . 0.0 113.994 168.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.848 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 0.7 OUTLIER -46.77 155.24 0.26 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 122.774 1.274 . . . . 0.0 110.65 169.156 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.404 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -137.22 152.99 74.58 Favored Pre-proline 0 C--O 1.243 0.712 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.02 -168.023 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.404 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 97.2 Cg_endo -65.33 -38.88 1.07 Allowed 'Cis proline' 0 N--CA 1.532 3.756 0 N-CA-C 115.697 1.383 . . . . 0.0 115.697 -3.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.732 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -104.37 139.95 38.6 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 121.294 -0.878 . . . . 0.0 110.401 174.59 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.848 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.7 p -56.94 -173.11 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.557 1.17 . . . . 0.0 110.276 172.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.685 ' O ' ' HG2' ' A' ' 33' ' ' LYS . . . -62.16 -43.39 98.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.989 1.376 . . . . 0.0 109.974 170.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.904 ' HE2' ' CZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -46.52 -71.1 0.08 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 177.565 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.732 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 55.7 m -59.65 -41.41 90.49 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.907 -172.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.59 HD23 ' O ' ' A' ' 32' ' ' LEU . 1.1 tt -59.76 -34.58 73.16 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.253 1.025 . . . . 0.0 110.253 -177.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.685 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 6.4 mmtp -73.22 -32.98 65.09 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.333 1.064 . . . . 0.0 111.44 -174.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.517 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 13.0 m-80 -109.45 5.71 23.57 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.694 -177.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 50.42 85.03 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.947 0.88 . . . . 0.0 110.688 -171.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.904 ' CZ3' ' HE2' ' A' ' 30' ' ' LYS . 35.6 m0 -128.99 171.39 12.4 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.462 -0.774 . . . . 0.0 110.289 -177.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -100.85 64.42 1.08 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.635 0.731 . . . . 0.0 110.61 -175.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.7 t -44.7 94.04 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.093 0.949 . . . . 0.0 111.72 173.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 1.055 ' HG2' ' HG3' ' A' ' 42' ' ' PRO . 1.3 ttp85 -104.77 100.47 10.11 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 122.46 1.124 . . . . 0.0 112.657 -179.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.541 ' CE1' ' HB3' ' A' ' 11' ' ' CYS . 21.2 m-85 -98.45 121.91 40.99 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.44 -0.788 . . . . 0.0 109.389 170.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 p 43.65 81.06 0.26 Allowed Pre-proline 0 C--N 1.318 -0.799 0 CA-C-O 123.339 1.542 . . . . 0.0 111.218 -173.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 1.055 ' HG3' ' HG2' ' A' ' 39' ' ' ARG . 78.5 Cg_exo -56.96 -79.08 0.02 OUTLIER 'Trans proline' 0 N--CA 1.53 3.635 1 C-N-CA 126.587 4.858 . . . . 0.0 114.748 178.386 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.152 0 CA-C-O 122.167 0.984 . . . . 0.0 110.971 -172.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.496 0 CA-C-O 121.734 0.778 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -126.07 98.96 5.7 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.853 0.835 . . . . 0.0 110.865 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.2 tp -100.22 132.61 45.49 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.811 0.815 . . . . 0.0 111.366 -172.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.474 ' O ' HD12 ' A' ' 4' ' ' LEU . 1.8 pp -149.36 92.31 1.93 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.831 0.824 . . . . 0.0 110.866 172.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.91 139.69 53.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.787 0.803 . . . . 0.0 111.219 -172.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.869 ' O ' HG23 ' A' ' 7' ' ' ILE . 0.1 OUTLIER 170.57 144.32 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 O-C-N 121.916 -0.49 . . . . 0.0 111.126 -172.811 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.869 HG23 ' O ' ' A' ' 6' ' ' SER 0.256 0.1 OUTLIER 174.23 -128.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 C-N-CA 125.461 1.505 . . . . 0.0 109.042 -170.969 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.424 ' HB3' ' H ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -123.52 -151.33 0.47 Allowed 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.66 0.743 . . . . 0.0 110.368 -170.56 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.585 ' HG2' ' HE2' ' A' ' 23' ' ' LYS . 7.8 pt20 -52.98 150.7 5.29 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.248 1.023 . . . . 0.0 111.086 -171.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -157.45 142.59 16.97 Favored 'General case' 0 C--O 1.253 1.253 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.286 171.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.731 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 26.6 p -59.59 171.95 0.77 Allowed 'General case' 0 C--N 1.315 -0.901 0 O-C-N 121.377 -0.827 . . . . 0.0 112.111 -169.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.707 ' O ' HD23 ' A' ' 16' ' ' LEU . 14.4 t70 -57.66 -37.26 73.08 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.008 0.909 . . . . 0.0 111.008 178.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.657 HG21 ' CE3' ' A' ' 36' ' ' TRP . 2.2 mm -74.41 -26.54 20.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -172.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.5 m -78.58 -33.85 47.34 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.908 1.337 . . . . 0.0 110.373 178.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.731 ' HG2' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -51.3 -65.21 0.6 Allowed 'General case' 0 C--O 1.241 0.608 0 CA-C-O 123.437 1.589 . . . . 0.0 110.988 171.292 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 12' ' ' ASP . 0.8 OUTLIER -67.54 -46.24 73.35 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.846 1.308 . . . . 0.0 110.501 -168.521 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.893 ' HB3' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -76.88 -21.68 54.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.972 -174.075 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.471 ' O ' HD12 ' A' ' 19' ' ' LEU . 8.2 mttt 61.03 73.07 0.49 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 123.531 1.634 . . . . 0.0 109.678 -170.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.893 HD13 ' HB3' ' A' ' 17' ' ' LYS . 1.0 OUTLIER -126.84 168.99 13.7 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.338 -175.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.475 ' H ' ' HG2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.32 148.51 24.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.85 171.83 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.7 t -132.78 76.91 1.71 Allowed 'General case' 0 C--O 1.245 0.858 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -172.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.638 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 4.6 p -39.05 -26.48 0.02 OUTLIER 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.426 -0.796 . . . . 0.0 112.887 168.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.638 ' HB2' ' O ' ' A' ' 22' ' ' SER . 12.7 mttp 87.61 7.31 0.21 Allowed 'General case' 0 C--O 1.252 1.208 0 C-N-CA 124.747 1.219 . . . . 0.0 113.864 169.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 1.084 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.7 pt-20 -45.37 157.98 0.08 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 122.529 1.157 . . . . 0.0 110.926 170.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.671 ' HG2' ' HE2' ' A' ' 40' ' ' TYR . 6.1 mtmm -138.05 152.07 71.22 Favored Pre-proline 0 C--O 1.243 0.76 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.967 -169.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.447 ' HG2' ' HG3' ' A' ' 27' ' ' LYS . 83.0 Cg_endo -64.76 -42.13 0.63 Allowed 'Cis proline' 0 N--CA 1.53 3.631 0 N-CA-C 115.316 1.237 . . . . 0.0 115.316 -3.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.742 ' HE3' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -102.3 141.7 34.7 Favored 'General case' 0 C--N 1.318 -0.802 0 O-C-N 121.001 -1.062 . . . . 0.0 110.721 175.165 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 1.084 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -55.7 -174.66 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 122.597 1.189 . . . . 0.0 110.623 172.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.529 ' HB2' ' OE2' ' A' ' 24' ' ' GLU . . . -63.01 -39.66 95.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 123.042 1.401 . . . . 0.0 110.096 171.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.891 ' CG ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -48.03 -69.15 0.13 Allowed 'General case' 0 C--O 1.242 0.69 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 175.221 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.486 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 83.3 m -59.97 -41.21 91.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.553 -0.717 . . . . 0.0 110.466 -173.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.742 ' HG ' ' HE3' ' A' ' 27' ' ' LYS . 2.8 tt -58.65 -35.57 72.75 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.36 1.076 . . . . 0.0 109.986 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -75.45 -26.9 58.67 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.848 -173.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.511 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 27.0 m-80 -114.22 6.61 16.28 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.354 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 50.01 84.86 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.012 0.911 . . . . 0.0 111.161 -171.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.657 ' CE3' HG21 ' A' ' 13' ' ' ILE . 28.4 m0 -130.05 173.06 11.09 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-O 121.621 0.725 . . . . 0.0 110.351 -175.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.21 54.74 0.7 Allowed 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.085 -1.009 . . . . 0.0 111.334 -172.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.534 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 13.3 t -41.52 106.34 0.06 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.915 1.34 . . . . 0.0 113.834 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.401 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 1.6 mtt180 -96.86 174.59 6.72 Favored 'General case' 0 C--O 1.248 0.998 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.831 165.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.671 ' HE2' ' HG2' ' A' ' 25' ' ' LYS . 5.3 m-85 -137.67 -35.14 0.66 Allowed 'General case' 0 C--O 1.255 1.352 0 O-C-N 120.137 -1.602 . . . . 0.0 113.432 173.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.476 ' HA ' ' HD3' ' A' ' 42' ' ' PRO . 0.6 OUTLIER 174.08 147.96 0.23 Allowed Pre-proline 0 C--N 1.318 -0.764 0 CA-C-O 122.863 1.315 . . . . 0.0 112.211 -177.328 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 41' ' ' SER . 36.5 Cg_endo -94.88 -79.71 0.0 OUTLIER 'Trans proline' 0 N--CA 1.528 3.514 1 C-N-CA 127.592 5.528 . . . . 0.0 115.103 177.268 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt . . . . . 0 C--O 1.27 2.159 0 CA-C-O 122.001 0.905 . . . . 0.0 111.177 -178.883 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ttp . . . . . 0 CA--C 1.513 -0.472 0 CA-C-O 121.966 0.889 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 3' ' ' LEU . 11.8 tptm -145.33 148.41 33.38 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.427 0.632 . . . . 0.0 110.549 -174.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.748 ' O ' HD12 ' A' ' 3' ' ' LEU . 0.2 OUTLIER 76.12 -0.89 3.04 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -173.749 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.626 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -32.22 -61.89 0.24 Allowed 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 124.355 1.062 . . . . 0.0 113.091 -171.733 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.56 178.5 8.24 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.871 0.843 . . . . 0.0 111.156 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 p -64.51 -158.91 0.01 OUTLIER 'General case' 0 C--O 1.253 1.263 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.039 172.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.505 ' O ' ' CG2' ' A' ' 7' ' ' ILE . 0.3 OUTLIER 47.24 74.87 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 124.531 2.11 . . . . 0.0 108.977 -171.508 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.29 27.03 4.4 Favored 'General case' 0 C--O 1.243 0.73 0 CA-C-N 114.219 -1.355 . . . . 0.0 112.457 172.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.806 ' HG3' ' N ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -57.53 173.42 0.28 Allowed 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.509 -0.745 . . . . 0.0 110.628 171.222 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.806 ' N ' ' HG3' ' A' ' 9' ' ' GLN . . . -179.99 144.51 0.19 Allowed 'General case' 0 C--O 1.252 1.233 0 O-C-N 121.925 -0.484 . . . . 0.0 110.416 172.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.743 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 21.9 p -77.46 173.99 11.35 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 120.667 -1.271 . . . . 0.0 111.416 -172.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.635 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 2.6 t70 -66.06 -50.49 63.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.569 0.699 . . . . 0.0 110.743 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.579 HG21 ' CE3' ' A' ' 36' ' ' TRP . 2.7 mm -56.3 -28.94 26.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -174.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.1 m -78.09 -32.04 50.41 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 123.139 1.447 . . . . 0.0 110.122 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.635 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -51.2 -63.02 1.27 Allowed 'General case' 0 C--O 1.242 0.673 0 CA-C-O 123.13 1.443 . . . . 0.0 111.498 170.58 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.71 -49.79 64.93 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 120.666 -1.271 . . . . 0.0 110.759 -169.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.823 ' HB2' ' CD2' ' A' ' 19' ' ' LEU . 10.5 mmtm -75.01 -21.4 59.14 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.993 0.902 . . . . 0.0 111.851 -175.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.713 ' C ' HD13 ' A' ' 19' ' ' LEU . 7.5 mttt 58.36 74.97 0.41 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 123.288 1.518 . . . . 0.0 109.805 -170.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.823 ' CD2' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -123.11 178.41 5.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.824 1.297 . . . . 0.0 109.608 172.305 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -88.97 158.78 17.92 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.843 170.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.857 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 7.5 t -139.14 78.57 1.68 Allowed 'General case' 0 C--O 1.242 0.702 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -174.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.595 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 3.5 p -39.72 -28.98 0.05 Allowed 'General case' 0 C--O 1.244 0.788 0 O-C-N 121.418 -0.801 . . . . 0.0 113.014 168.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.857 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 17.9 mttp 87.86 8.53 0.16 Allowed 'General case' 0 C--O 1.257 1.489 0 C-N-CA 124.603 1.161 . . . . 0.0 113.703 169.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 1.119 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.6 pt-20 -46.23 156.88 0.14 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 119.495 1.043 . . . . 0.0 110.165 169.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.419 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 9.6 mtmm -137.2 154.85 76.01 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-O 121.654 0.74 . . . . 0.0 112.021 -168.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.434 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 89.5 Cg_endo -64.78 -40.07 0.86 Allowed 'Cis proline' 0 N--CA 1.531 3.695 0 N-CA-C 115.69 1.381 . . . . 0.0 115.69 -3.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -102.99 142.31 34.31 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.126 -0.984 . . . . 0.0 110.286 172.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 1.119 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -54.35 -175.85 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.738 1.256 . . . . 0.0 110.104 171.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.523 ' O ' ' HG2' ' A' ' 33' ' ' LYS . . . -52.57 -49.37 65.11 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.39 1.09 . . . . 0.0 110.041 171.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.521 ' CE ' ' HG ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -72.83 -44.46 61.41 Favored 'General case' 0 C--O 1.274 2.384 0 N-CA-C 117.028 2.233 . . . . 0.0 117.028 -168.018 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.546 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 61.8 m -57.64 -40.58 79.56 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 121.326 1.875 . . . . 0.0 108.212 174.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.673 ' O ' HD13 ' A' ' 32' ' ' LEU . 2.8 tm? -60.41 -33.59 72.72 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.927 0.87 . . . . 0.0 110.86 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -75.7 -28.37 58.6 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.175 0.988 . . . . 0.0 111.985 -175.611 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.465 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 17.2 m-20 -112.74 11.23 19.38 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 123.202 0.601 . . . . 0.0 111.545 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 42.35 83.44 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.931 0.872 . . . . 0.0 111.806 -172.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.579 ' CE3' HG21 ' A' ' 13' ' ' ILE . 17.6 m0 -125.78 175.66 7.47 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.973 0.892 . . . . 0.0 110.586 -172.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -104.95 59.43 0.69 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.086 0.946 . . . . 0.0 110.917 -175.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.2 t -42.94 95.83 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.186 0.994 . . . . 0.0 111.866 172.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.11 102.19 9.39 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.743 ' CD2' ' HB3' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -98.05 -9.99 25.07 Favored 'General case' 0 C--O 1.248 0.989 0 O-C-N 121.977 -0.452 . . . . 0.0 111.899 175.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.767 ' N ' ' HD2' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -48.17 -46.67 66.58 Favored Pre-proline 0 C--N 1.318 -0.785 0 O-C-N 121.226 -0.921 . . . . 0.0 112.936 -171.866 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.767 ' HD2' ' N ' ' A' ' 41' ' ' SER . 17.8 Cg_endo -52.82 -94.09 0.0 OUTLIER 'Trans proline' 0 N--CA 1.531 3.7 1 C-N-CA 126.369 4.713 . . . . 0.0 114.722 -176.804 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.4 mttm . . . . . 0 C--O 1.27 2.166 0 CA-C-O 122.023 0.916 . . . . 0.0 110.987 -171.418 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.9 mtt . . . . . 0 CA--C 1.514 -0.419 0 CA-C-O 122.32 1.057 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 157.28 -33.01 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 123.063 1.411 . . . . 0.0 109.509 -171.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.73 -148.37 0.17 Allowed 'General case' 0 C--O 1.245 0.827 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.951 170.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.2 114.09 25.77 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.672 0.749 . . . . 0.0 110.858 171.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 t -133.11 -70.14 0.54 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.661 0.743 . . . . 0.0 110.914 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 71.34 -153.79 0.1 Allowed 'General case' 0 C--O 1.242 0.681 0 CA-C-O 121.339 0.59 . . . . 0.0 110.605 178.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.586 HG22 ' O ' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -124.59 85.7 0.98 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.926 0 O-C-N 121.516 -0.74 . . . . 0.0 109.616 172.364 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.71 52.64 0.01 OUTLIER 'General case' 0 C--O 1.248 1.009 0 O-C-N 121.361 -0.837 . . . . 0.0 113.083 172.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.806 ' O ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -64.22 121.4 14.16 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.413 -0.804 . . . . 0.0 109.265 169.276 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.71 152.74 34.36 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.461 0.648 . . . . 0.0 109.496 -172.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.472 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 30.4 p -72.25 178.62 3.79 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.324 0.583 . . . . 0.0 111.141 -172.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -61.56 -35.1 76.84 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 121.429 -0.795 . . . . 0.0 110.944 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 1.004 HD13 HD21 ' A' ' 16' ' ' LEU . 6.9 mm -76.2 -28.18 18.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -173.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.571 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 16.6 m -79.74 -35.93 38.06 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.775 1.274 . . . . 0.0 110.137 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.622 ' HG2' ' N ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -53.19 -60.26 3.51 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-O 122.557 1.17 . . . . 0.0 111.17 169.065 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.03 HD12 ' HG2' ' A' ' 17' ' ' LYS . 2.3 pp -63.41 -52.23 62.47 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 120.553 -1.342 . . . . 0.0 110.488 -169.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 1.03 ' HG2' HD12 ' A' ' 16' ' ' LEU . 3.4 mmtm -77.51 -21.69 52.35 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.037 0.922 . . . . 0.0 111.995 -174.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.6 mttt 59.11 72.38 0.53 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 124.701 2.191 . . . . 0.0 109.424 -170.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.757 HD22 ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -120.57 -179.7 4.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 113.557 -1.656 . . . . 0.0 110.3 -173.116 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.521 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.86 141.04 28.83 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.016 171.477 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.571 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 16.5 t -136.89 80.0 1.79 Allowed 'General case' 0 C--O 1.244 0.784 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -172.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.533 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.0 p -41.75 -23.1 0.02 OUTLIER 'General case' 0 C--O 1.247 0.944 0 N-CA-C 114.05 1.129 . . . . 0.0 114.05 167.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.806 ' HE3' ' O ' ' A' ' 9' ' ' GLN . 9.0 mttp 77.33 4.11 3.17 Favored 'General case' 0 C--O 1.25 1.092 0 O-C-N 120.56 -1.338 . . . . 0.0 114.534 174.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.696 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -46.35 154.51 0.27 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 122.781 1.277 . . . . 0.0 110.631 169.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.442 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 79.6 mttt -135.95 154.09 77.45 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.265 -167.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 88.8 Cg_endo -64.8 -41.17 0.73 Allowed 'Cis proline' 0 N--CA 1.531 3.733 0 N-CA-C 115.482 1.301 . . . . 0.0 115.482 -3.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.53 ' HA ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -103.31 140.32 37.57 Favored 'General case' 0 C--O 1.245 0.848 0 O-C-N 121.132 -0.98 . . . . 0.0 110.39 174.096 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.696 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -56.51 -175.75 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.66 1.219 . . . . 0.0 110.235 172.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.633 ' HB2' ' OE2' ' A' ' 24' ' ' GLU . . . -62.53 -40.48 96.92 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 123.304 1.526 . . . . 0.0 109.689 170.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.513 ' HD3' ' HA ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -45.87 -72.33 0.06 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 176.094 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.469 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 85.2 m -58.55 -42.73 88.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.323 -171.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.616 HD22 ' O ' ' A' ' 32' ' ' LEU . 1.1 tm? -59.37 -33.91 71.76 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.079 0.942 . . . . 0.0 110.0 -176.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 29.3 mmtt -77.45 -29.57 52.85 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.255 1.026 . . . . 0.0 111.886 -174.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.491 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 33.3 m-80 -105.35 4.96 31.43 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.046 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.64 81.16 0.05 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.242 1.02 . . . . 0.0 110.861 -171.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.614 ' CE3' HG21 ' A' ' 13' ' ' ILE . 26.4 m0 -125.96 174.28 8.53 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-O 121.673 0.749 . . . . 0.0 110.425 -175.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -105.1 63.28 0.7 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.796 0.808 . . . . 0.0 110.897 -176.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.53 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 8.3 t -46.08 98.55 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.892 0.853 . . . . 0.0 111.213 172.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.86 116.05 21.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.736 1.255 . . . . 0.0 113.642 172.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.472 ' CE1' ' HB3' ' A' ' 11' ' ' CYS . 51.8 m-85 -94.96 -23.0 17.59 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 121.085 -1.01 . . . . 0.0 109.882 -176.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 40.51 92.8 0.05 OUTLIER Pre-proline 0 C--N 1.319 -0.746 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 166.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -43.57 -33.29 4.39 Favored 'Trans proline' 0 N--CA 1.529 3.598 1 C-N-CA 125.927 4.418 . . . . 0.0 114.599 176.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt . . . . . 0 C--O 1.271 2.205 0 CA-C-O 122.016 0.912 . . . . 0.0 110.902 172.207 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.512 -0.512 0 CA-C-O 121.651 0.739 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 1.2 pttm -111.51 -169.57 1.48 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.162 0.506 . . . . 0.0 110.987 -179.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 2' ' ' LYS . 1.8 mt 92.31 -65.88 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 126.557 1.943 . . . . 0.0 110.584 175.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 4' ' ' LEU . 1.4 tt 62.0 14.98 6.88 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 121.698 -0.626 . . . . 0.0 112.412 -176.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.631 ' O ' ' HB2' ' A' ' 6' ' ' SER . 5.8 m 28.26 -89.99 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 125.741 1.616 . . . . 0.0 114.418 171.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.631 ' HB2' ' O ' ' A' ' 5' ' ' SER . 16.8 m 81.24 71.76 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.787 0.804 . . . . 0.0 110.599 -172.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 6' ' ' SER . 0.1 OUTLIER -166.5 122.11 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.432 0 CA-C-O 117.955 -1.021 . . . . 0.0 109.333 178.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -35.64 89.01 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 121.433 1.924 . . . . 0.0 114.685 -169.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.815 ' O ' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -83.02 -170.18 2.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.722 170.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -164.08 133.12 3.78 Favored 'General case' 0 C--O 1.257 1.482 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 171.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.538 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 25.8 p -70.98 173.93 6.85 Favored 'General case' 0 C--N 1.315 -0.909 0 O-C-N 120.559 -1.338 . . . . 0.0 111.551 -169.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.437 ' O ' HD22 ' A' ' 16' ' ' LEU . 2.7 t70 -68.9 -27.14 65.51 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 121.821 -0.55 . . . . 0.0 112.389 -177.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.611 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.3 mm -75.76 -33.43 26.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.626 0.727 . . . . 0.0 112.27 -174.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.2 m -77.09 -33.24 57.02 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.647 1.213 . . . . 0.0 109.947 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.518 ' HG2' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -48.91 -62.89 1.28 Allowed 'General case' 0 C--O 1.243 0.715 0 CA-C-O 123.412 1.577 . . . . 0.0 111.234 171.681 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.518 HD13 ' HG2' ' A' ' 15' ' ' ARG . 0.5 OUTLIER -72.13 -43.21 65.06 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 120.397 -1.439 . . . . 0.0 110.736 -168.585 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.763 ' HB2' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -74.74 -18.66 60.46 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.427 -174.131 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 mttm 60.73 73.22 0.49 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 124.346 2.022 . . . . 0.0 109.449 -171.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.838 ' HG ' ' HE2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -124.19 -169.86 2.04 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 113.896 -1.502 . . . . 0.0 109.508 -174.721 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.624 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.6 OUTLIER -88.69 -152.04 0.22 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.767 167.327 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.856 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 5.6 t 179.52 81.29 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.459 0.647 . . . . 0.0 111.342 169.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.621 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 9.9 p -39.56 -31.54 0.1 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 170.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.856 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 47.6 mttp 87.76 5.56 0.26 Allowed 'General case' 0 C--O 1.251 1.153 0 C-N-CA 124.409 1.084 . . . . 0.0 113.339 170.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 1.055 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 3.5 pt-20 -45.18 157.16 0.09 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 122.643 1.211 . . . . 0.0 111.16 169.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -138.05 146.43 52.09 Favored Pre-proline 0 C--O 1.243 0.74 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.07 -169.446 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.429 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 94.8 Cg_endo -66.52 -45.34 0.36 Allowed 'Cis proline' 0 N--CA 1.532 3.771 0 N-CA-C 115.825 1.433 . . . . 0.0 115.825 -3.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.513 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -96.01 135.45 37.76 Favored 'General case' 0 C--O 1.246 0.909 0 O-C-N 120.662 -1.273 . . . . 0.0 110.169 179.288 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 1.055 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -57.24 -172.53 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.599 1.19 . . . . 0.0 110.19 172.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.521 ' HB2' ' OE2' ' A' ' 24' ' ' GLU . . . -59.31 -46.74 87.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 122.385 1.088 . . . . 0.0 110.455 170.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.838 ' HE2' ' HG ' ' A' ' 19' ' ' LEU . 4.2 mmmt -46.71 -72.87 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 178.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.513 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 58.0 m -58.77 -39.68 81.73 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 114.646 -1.161 . . . . 0.0 112.039 -169.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.591 HD13 ' C ' ' A' ' 32' ' ' LEU . 1.4 tm? -59.91 -38.37 82.11 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.219 1.009 . . . . 0.0 110.081 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -70.95 -28.66 64.65 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.387 -175.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.474 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 37.2 m-80 -115.04 6.36 15.2 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.292 -174.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 48.36 82.06 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.201 1.001 . . . . 0.0 110.92 -171.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.611 ' CE3' HG21 ' A' ' 13' ' ' ILE . 27.6 m0 -126.88 174.36 8.87 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.728 0.775 . . . . 0.0 110.407 -175.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.13 70.11 1.19 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.973 0.892 . . . . 0.0 110.83 -179.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.0 t -48.51 95.82 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.548 1.166 . . . . 0.0 111.347 171.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.85 104.82 16.9 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 123.54 1.638 . . . . 0.0 112.39 175.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.718 ' C ' ' HD3' ' A' ' 42' ' ' PRO . 31.0 m-85 -97.17 49.86 1.07 Allowed 'General case' 0 CA--C 1.512 -0.51 0 O-C-N 120.752 -1.217 . . . . 0.0 110.443 172.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.632 ' N ' ' HD3' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -121.09 54.13 3.9 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 121.909 0.862 . . . . 0.0 111.076 174.869 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.718 ' HD3' ' C ' ' A' ' 40' ' ' TYR . 70.8 Cg_exo -48.7 -69.8 0.07 OUTLIER 'Trans proline' 0 N--CA 1.528 3.546 1 C-N-CA 126.236 4.624 . . . . 0.0 114.609 178.508 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 42' ' ' PRO . 31.3 tttp . . . . . 0 C--O 1.27 2.167 0 C-N-CA 126.16 1.784 . . . . 0.0 114.15 171.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 mtp . . . . . 0 CA--C 1.511 -0.551 0 CA-C-O 121.923 0.868 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.1 tptt -53.5 -52.93 58.01 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.816 0.817 . . . . 0.0 110.817 -175.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 tp 48.58 -108.15 0.25 Allowed 'General case' 0 C--O 1.245 0.835 0 O-C-N 121.962 -0.461 . . . . 0.0 110.511 -175.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.3 mt 46.92 -89.06 0.01 OUTLIER 'General case' 0 C--O 1.245 0.85 0 O-C-N 121.334 -0.854 . . . . 0.0 112.364 -172.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.653 ' O ' ' HB3' ' A' ' 6' ' ' SER . 0.6 OUTLIER -62.64 -162.21 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.007 0.908 . . . . 0.0 111.882 178.541 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.653 ' HB3' ' O ' ' A' ' 5' ' ' SER . 10.6 t 86.89 71.33 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.912 0.863 . . . . 0.0 110.744 174.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.7 HG23 ' N ' ' A' ' 8' ' ' GLU . 5.8 tt -161.37 -141.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.481 0.657 . . . . 0.0 109.79 -174.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.7 ' N ' HG23 ' A' ' 7' ' ' ILE . 1.0 OUTLIER -25.03 108.77 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 125.581 1.552 . . . . 0.0 113.556 171.094 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.748 ' O ' ' HE3' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -31.66 144.92 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 124.87 1.268 . . . . 0.0 111.089 167.654 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 9' ' ' GLN . . . -176.82 142.98 0.42 Allowed 'General case' 0 C--O 1.252 1.232 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.886 173.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.534 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 19.8 p -63.6 174.1 1.46 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 122.6 1.191 . . . . 0.0 112.764 -168.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.628 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 1.2 t70 -62.15 -45.86 91.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.315 178.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.554 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 1.9 mm -59.05 -28.82 39.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -172.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.7 m -77.18 -32.04 55.81 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.661 1.22 . . . . 0.0 110.146 177.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.628 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 2.6 mtp180 -50.1 -63.86 0.99 Allowed 'General case' 0 C--O 1.242 0.707 0 CA-C-O 123.587 1.661 . . . . 0.0 111.239 170.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.84 -49.66 60.97 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 120.321 -1.487 . . . . 0.0 110.894 -168.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 1.007 ' HB2' HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -75.02 -19.44 60.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.643 -174.23 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 mttm 59.89 71.99 0.55 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 123.702 1.715 . . . . 0.0 109.441 -171.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.007 HD22 ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -125.71 155.17 41.35 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.383 -1.281 . . . . 0.0 109.422 -175.823 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -79.55 134.98 36.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.87 0.843 . . . . 0.0 110.835 172.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.5 t -114.02 80.39 1.38 Allowed 'General case' 0 C--O 1.244 0.777 0 O-C-N 121.868 -0.52 . . . . 0.0 111.639 -171.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.637 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 11.0 p -38.63 -29.96 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 O-C-N 121.359 -0.838 . . . . 0.0 112.397 169.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.748 ' HE3' ' O ' ' A' ' 9' ' ' GLN . 0.4 OUTLIER 88.34 7.43 0.16 Allowed 'General case' 0 C--O 1.254 1.31 0 C-N-CA 124.731 1.212 . . . . 0.0 114.064 167.792 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.89 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.3 pt-20 -46.88 154.23 0.35 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 122.638 1.209 . . . . 0.0 110.581 169.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.583 ' HE2' ' CD2' ' A' ' 40' ' ' TYR . 0.7 OUTLIER -138.38 150.89 68.06 Favored Pre-proline 0 C--O 1.243 0.76 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.028 -168.673 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.402 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 98.7 Cg_endo -65.64 -40.44 0.87 Allowed 'Cis proline' 0 N--CA 1.531 3.694 0 N-CA-C 115.719 1.392 . . . . 0.0 115.719 -3.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.55 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 6.8 mtmt -101.87 134.54 44.9 Favored 'General case' 0 C--N 1.317 -0.81 0 O-C-N 121.19 -0.943 . . . . 0.0 110.559 177.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.89 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -56.76 -173.76 0.01 OUTLIER 'General case' 0 C--O 1.241 0.63 0 CA-C-O 122.626 1.203 . . . . 0.0 110.175 172.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.535 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -64.73 -40.04 94.65 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 123.235 1.493 . . . . 0.0 110.113 170.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.736 ' HE2' ' CD2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -45.46 -72.67 0.05 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 114.665 1.358 . . . . 0.0 114.665 174.546 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.55 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 55.8 m -61.23 -38.77 87.82 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.777 -171.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.1 -40.31 76.76 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 122.115 0.96 . . . . 0.0 109.7 178.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 7.2 mtpm? -70.94 -27.54 63.83 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.987 -174.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.435 ' O ' ' CD1' ' A' ' 36' ' ' TRP . 45.8 m-20 -125.04 30.99 5.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.19 -176.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 35.93 68.09 0.26 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 124.776 2.227 . . . . 0.0 111.75 172.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.584 ' HZ3' ' HG3' ' A' ' 30' ' ' LYS . 15.8 m0 -115.88 179.04 4.1 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.75 -170.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -108.41 67.89 0.68 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.837 0.827 . . . . 0.0 111.544 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.415 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 17.4 t -45.33 97.03 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.493 1.14 . . . . 0.0 111.024 171.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.531 ' HB2' ' HB3' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -100.34 91.58 4.78 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.567 1.175 . . . . 0.0 112.284 -174.361 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.583 ' CD2' ' HE2' ' A' ' 25' ' ' LYS . 54.3 m-85 -101.82 103.98 14.72 Favored 'General case' 0 C--O 1.246 0.899 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 168.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.711 ' H ' ' HD2' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -151.2 -57.33 0.02 OUTLIER Pre-proline 0 C--N 1.32 -0.695 0 CA-C-O 122.035 0.922 . . . . 0.0 113.293 -171.535 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.711 ' HD2' ' H ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -33.65 -75.77 0.03 OUTLIER 'Trans proline' 0 N--CA 1.528 3.558 1 C-N-CA 126.637 4.891 . . . . 0.0 115.201 -176.829 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.225 0 CA-C-O 121.876 0.846 . . . . 0.0 110.827 -172.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ptt? . . . . . 0 CA--C 1.511 -0.532 0 CA-C-O 121.703 0.763 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -110.61 -56.16 2.38 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.819 0.818 . . . . 0.0 111.294 -172.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.439 ' O ' HD12 ' A' ' 4' ' ' LEU . 0.6 OUTLIER 57.15 61.17 2.65 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.132 0.968 . . . . 0.0 110.714 -172.286 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.439 HD12 ' O ' ' A' ' 3' ' ' LEU . 3.9 mp -129.08 -162.5 1.2 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.525 0.679 . . . . 0.0 110.635 175.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.0 p -91.58 24.8 2.9 Favored 'General case' 0 C--O 1.243 0.716 0 O-C-N 121.757 -0.589 . . . . 0.0 111.516 170.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.22 171.15 12.73 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.963 0.887 . . . . 0.0 111.001 172.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.521 ' CG2' ' N ' ' A' ' 8' ' ' GLU . 0.7 OUTLIER 148.78 164.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 C-N-CA 126.107 1.763 . . . . 0.0 108.992 -170.742 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.521 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 0.8 OUTLIER -34.27 87.1 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 122.529 1.157 . . . . 0.0 112.218 169.428 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -83.97 169.79 14.64 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 123.116 1.436 . . . . 0.0 113.297 -170.497 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.7 125.82 9.94 Favored 'General case' 0 C--O 1.26 1.637 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.004 170.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.872 ' HA ' ' HB3' ' A' ' 40' ' ' TYR . 23.4 p -61.93 175.31 0.69 Allowed 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 120.957 1.708 . . . . 0.0 112.134 -168.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -57.28 -45.33 84.19 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.432 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.58 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.5 mm -61.78 -32.8 55.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -171.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.8 m -76.55 -32.5 58.23 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 122.286 1.041 . . . . 0.0 110.054 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.814 ' HG2' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -49.97 -63.19 1.19 Allowed 'General case' 0 C--O 1.244 0.779 0 CA-C-O 123.415 1.579 . . . . 0.0 111.13 171.274 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.814 ' N ' ' HG2' ' A' ' 15' ' ' ARG . 31.8 mt -66.44 -52.01 50.82 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 120.271 -1.518 . . . . 0.0 110.719 -168.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.581 ' HB2' HD22 ' A' ' 19' ' ' LEU . 5.6 mmtm -75.28 -17.41 60.3 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.544 -172.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp 61.35 72.04 0.53 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 123.816 1.77 . . . . 0.0 109.722 -172.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.862 HD23 ' CG ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -125.6 172.39 9.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.157 -172.705 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' H ' ' HG3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.25 151.64 22.51 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.946 172.195 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.9 t -136.09 78.08 1.69 Allowed 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.688 0.756 . . . . 0.0 112.951 -172.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.553 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 8.4 p -44.97 -19.57 0.03 OUTLIER 'General case' 0 C--O 1.249 1.04 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 169.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.553 ' HB2' ' O ' ' A' ' 22' ' ' SER . 0.6 OUTLIER 77.39 -2.61 2.57 Favored 'General case' 0 C--O 1.254 1.301 0 O-C-N 120.671 -1.268 . . . . 0.0 114.389 174.891 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 1.065 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 3.7 pt-20 -44.18 152.84 0.17 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 119.487 1.04 . . . . 0.0 110.331 170.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HE3' ' O ' ' A' ' 23' ' ' LYS . 3.3 mttt -137.03 155.17 76.33 Favored Pre-proline 0 C--O 1.244 0.768 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.023 -168.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.477 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 89.0 Cg_endo -64.98 -36.96 1.43 Allowed 'Cis proline' 0 N--CA 1.531 3.701 0 N-CA-C 115.842 1.439 . . . . 0.0 115.842 -3.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HG2' ' HG2' ' A' ' 26' ' ' PRO . 0.1 OUTLIER -104.82 137.45 42.58 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.435 -0.791 . . . . 0.0 110.782 174.161 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 1.065 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.9 p -56.45 -173.49 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.557 1.17 . . . . 0.0 110.787 171.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.637 ' HB2' ' OE2' ' A' ' 24' ' ' GLU . . . -60.08 -43.37 95.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 122.759 1.266 . . . . 0.0 109.646 170.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.862 ' CG ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -48.28 -69.89 0.11 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 179.717 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.472 ' CB ' ' HB2' ' A' ' 36' ' ' TRP . 69.9 m -61.39 -39.39 90.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.607 -172.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.565 HD22 ' O ' ' A' ' 32' ' ' LEU . 1.4 tm? -58.95 -36.2 74.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 122.31 1.052 . . . . 0.0 110.234 178.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.637 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 18.1 mmtt -70.85 -30.45 66.86 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.213 1.006 . . . . 0.0 111.075 -174.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.489 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 13.4 m-80 -116.43 7.46 13.83 Favored 'General case' 0 C--O 1.247 0.941 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.924 -174.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 49.32 85.27 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.454 -0.779 . . . . 0.0 111.21 -171.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.58 ' CE3' HG21 ' A' ' 13' ' ' ILE . 25.0 m0 -130.34 177.12 7.57 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.918 0.866 . . . . 0.0 110.715 -173.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.47 65.6 0.68 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.718 0.771 . . . . 0.0 110.844 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.7 t -38.67 95.01 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.531 1.158 . . . . 0.0 111.919 171.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -109.78 70.32 0.72 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.172 0.986 . . . . 0.0 112.427 -172.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.872 ' HB3' ' HA ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -114.4 54.36 0.77 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 122.518 1.152 . . . . 0.0 109.587 169.019 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.5 163.79 16.24 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-O 122.27 1.033 . . . . 0.0 111.575 -171.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.417 ' HB2' ' H ' ' A' ' 43' ' ' LYS . 12.1 Cg_endo -84.72 -125.67 0.01 OUTLIER 'Trans proline' 0 N--CA 1.534 3.896 1 C-N-CA 126.653 4.902 . . . . 0.0 114.311 178.164 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.417 ' H ' ' HB2' ' A' ' 42' ' ' PRO . 9.4 pttm . . . . . 0 C--O 1.271 2.196 0 O-C-N 120.728 -1.232 . . . . 0.0 110.84 172.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 mtt . . . . . 0 CA--C 1.511 -0.539 0 CA-C-O 121.732 0.777 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -139.48 39.03 2.06 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.737 0.779 . . . . 0.0 110.928 174.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.5 mp -122.46 57.9 1.07 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.507 1.146 . . . . 0.0 110.718 175.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 mp -110.34 103.51 12.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.728 0.775 . . . . 0.0 111.045 175.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.84 160.96 22.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.612 0.72 . . . . 0.0 110.795 172.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.85 -160.39 0.11 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.49 0.662 . . . . 0.0 110.933 -172.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.535 HG23 ' O ' ' A' ' 7' ' ' ILE . 0.5 OUTLIER -95.42 19.65 1.3 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.725 0 CA-C-O 121.204 0.526 . . . . 0.0 112.118 172.639 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.62 -83.9 0.01 OUTLIER 'General case' 0 C--O 1.247 0.947 0 O-C-N 121.567 -0.708 . . . . 0.0 110.742 176.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.562 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -79.69 128.68 33.7 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.95 1.357 . . . . 0.0 110.555 175.222 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 9' ' ' GLN . . . 149.53 114.6 0.0 OUTLIER 'General case' 0 C--O 1.257 1.452 0 C-N-CA 126.107 1.763 . . . . 0.0 107.792 -167.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.3 p -63.33 177.2 0.67 Allowed 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 120.811 1.641 . . . . 0.0 112.399 -165.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.612 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -60.56 -47.02 88.04 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.821 0.82 . . . . 0.0 110.906 179.453 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.574 HG21 ' CE3' ' A' ' 36' ' ' TRP . 11.6 mm -62.12 -25.08 36.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.73 0.776 . . . . 0.0 112.572 -171.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.6 m -78.47 -33.57 48.2 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.765 1.269 . . . . 0.0 110.47 176.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.612 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 4.1 mtt-85 -51.41 -64.47 0.8 Allowed 'General case' 0 C--O 1.242 0.678 0 CA-C-O 123.11 1.433 . . . . 0.0 111.101 171.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.63 -47.65 69.01 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.988 1.375 . . . . 0.0 110.23 -168.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 1.101 ' HE2' ' CH2' ' A' ' 36' ' ' TRP . 8.4 mtpp -77.32 -19.97 55.6 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.892 -172.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HZ2' ' HG2' ' A' ' 18' ' ' LYS . 3.9 mttp 60.19 72.56 0.52 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 124.16 1.933 . . . . 0.0 108.95 -170.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.733 ' HG ' ' HE2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -123.54 154.59 39.0 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.551 -172.312 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.02 134.15 35.06 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.466 0.65 . . . . 0.0 110.347 171.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.549 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 3.2 t -112.37 84.99 2.07 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.157 0.503 . . . . 0.0 110.958 -171.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.648 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.3 p -38.13 -30.15 0.03 OUTLIER 'General case' 0 C--O 1.244 0.792 0 O-C-N 121.682 -0.636 . . . . 0.0 112.516 170.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.648 ' HB2' ' O ' ' A' ' 22' ' ' SER . 11.4 mttm 84.1 77.21 0.02 OUTLIER 'General case' 0 C--O 1.271 2.235 0 O-C-N 121.143 -0.973 . . . . 0.0 111.884 167.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 1.056 ' C ' ' HD3' ' A' ' 25' ' ' LYS . 1.1 pt-20 -139.49 158.84 43.44 Favored 'General case' 0 C--N 1.316 -0.859 0 O-C-N 118.2 -2.813 . . . . 0.0 110.125 -173.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 1.056 ' HD3' ' C ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -120.52 136.55 25.39 Favored Pre-proline 0 C--O 1.24 0.59 0 CA-C-O 121.761 0.791 . . . . 0.0 112.404 -167.692 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -66.97 -50.33 0.18 OUTLIER 'Cis proline' 0 N--CA 1.534 3.859 0 N-CA-C 115.914 1.467 . . . . 0.0 115.914 -3.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.923 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -101.97 145.32 29.43 Favored 'General case' 0 C--O 1.255 1.354 0 O-C-N 120.437 -1.414 . . . . 0.0 110.065 -172.266 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.967 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.4 p -55.11 -176.01 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 123.221 1.486 . . . . 0.0 109.295 170.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.503 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -56.76 -41.87 78.36 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 123.243 1.497 . . . . 0.0 109.848 168.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.733 ' HE2' ' HG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -49.38 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 178.576 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.923 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 59.9 m -59.05 -37.87 78.05 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.092 -171.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.408 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 7.1 tt -61.1 -39.16 88.89 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.079 0.942 . . . . 0.0 109.834 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -65.61 -31.52 72.6 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 123.233 1.492 . . . . 0.0 110.27 -177.759 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.522 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . 2.5 m120 -113.17 2.97 15.82 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-N 114.826 -1.079 . . . . 0.0 113.894 -169.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 48.55 77.53 0.1 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.597 1.189 . . . . 0.0 110.381 -171.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 1.101 ' CH2' ' HE2' ' A' ' 17' ' ' LYS . 27.3 m0 -124.23 172.87 8.73 Favored 'General case' 0 C--O 1.245 0.818 0 C-N-CA 123.927 0.891 . . . . 0.0 110.273 -176.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -103.49 64.05 0.81 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.813 0.816 . . . . 0.0 110.592 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.518 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 15.6 t -42.59 95.95 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.939 0.875 . . . . 0.0 111.88 172.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.13 111.38 23.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 124.455 2.074 . . . . 0.0 112.707 175.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -96.91 -30.57 13.04 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 120.113 -1.617 . . . . 0.0 110.359 176.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.6 m 57.09 65.1 3.95 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-O 121.616 0.722 . . . . 0.0 111.297 -175.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -62.1 -57.75 0.47 Allowed 'Trans proline' 0 N--CA 1.53 3.667 1 C-N-CA 125.877 4.385 . . . . 0.0 113.479 176.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? . . . . . 0 C--O 1.27 2.164 0 CA-C-O 122.163 0.982 . . . . 0.0 111.17 171.748 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.527 0 CA-C-O 121.72 0.772 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.3 tttp 64.97 93.22 0.07 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.638 0.732 . . . . 0.0 111.106 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER 71.54 132.9 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.816 1.293 . . . . 0.0 111.603 172.077 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.84 107.96 16.11 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 121.793 0.806 . . . . 0.0 111.104 -176.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.48 -176.74 0.07 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.718 0.77 . . . . 0.0 110.969 -174.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 p -120.24 101.44 7.82 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.842 0.829 . . . . 0.0 111.339 -172.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 155.91 138.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.25 1.119 0 C-N-CA 124.203 1.001 . . . . 0.0 109.076 -172.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -166.46 125.54 1.52 Allowed 'General case' 0 C--N 1.316 -0.855 0 O-C-N 121.056 -1.028 . . . . 0.0 111.011 -171.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -47.31 154.43 0.41 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 122.181 0.991 . . . . 0.0 111.696 -176.284 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 9' ' ' GLN . . . -178.87 139.44 0.16 Allowed 'General case' 0 C--O 1.255 1.372 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.182 172.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.535 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 20.0 p -74.42 173.28 10.53 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 120.662 -1.274 . . . . 0.0 111.926 -170.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.474 ' HB2' ' HB3' ' A' ' 39' ' ' ARG . 1.3 t70 -70.11 -34.9 73.69 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 121.645 -0.659 . . . . 0.0 112.197 -178.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.602 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.3 mm -66.2 -31.53 54.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 O-C-N 121.593 -0.692 . . . . 0.0 112.76 -175.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.5 m -78.49 -33.08 48.42 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.67 1.224 . . . . 0.0 110.49 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.98 -63.6 1.08 Allowed 'General case' 0 C--O 1.242 0.669 0 CA-C-O 123.098 1.427 . . . . 0.0 111.115 171.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.6 mt -64.8 -52.96 54.03 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.752 1.263 . . . . 0.0 110.642 -169.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.736 ' HB2' HD22 ' A' ' 19' ' ' LEU . 6.7 mmmt -74.16 -19.89 60.41 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.366 -173.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp 58.97 71.93 0.56 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 123.907 1.813 . . . . 0.0 109.553 -171.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.763 ' CG ' ' HE2' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -122.07 -177.6 3.63 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.22 -1.355 . . . . 0.0 110.603 -172.661 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' H ' ' HG2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.7 147.04 24.7 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.176 172.475 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.507 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 3.8 t -136.36 70.72 1.41 Allowed 'General case' 0 C--O 1.243 0.735 0 O-C-N 121.699 -0.626 . . . . 0.0 112.045 -175.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.645 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 5.4 p -39.28 -24.79 0.01 OUTLIER 'General case' 0 C--O 1.245 0.859 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 170.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.645 ' HB2' ' O ' ' A' ' 22' ' ' SER . 9.9 mttt 86.83 4.7 0.38 Allowed 'General case' 0 C--O 1.254 1.294 0 C-N-CA 124.544 1.138 . . . . 0.0 113.933 169.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 1.09 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.9 pt-20 -45.3 157.93 0.08 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 122.586 1.184 . . . . 0.0 111.307 170.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 11.2 mtmm -138.26 144.73 44.31 Favored Pre-proline 0 C--O 1.244 0.804 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.257 -169.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.401 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 95.1 Cg_endo -66.87 -47.08 0.27 Allowed 'Cis proline' 0 N--CA 1.531 3.714 0 N-CA-C 115.621 1.354 . . . . 0.0 115.621 -3.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.515 ' HD3' ' H ' ' A' ' 38' ' ' CYS . 7.1 mttp -95.1 131.89 40.6 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 120.654 -1.279 . . . . 0.0 110.137 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 1.09 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -55.79 -176.53 0.01 OUTLIER 'General case' 0 C--O 1.239 0.531 0 CA-C-O 122.803 1.287 . . . . 0.0 110.192 173.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.684 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -62.52 -40.79 97.9 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 123.151 1.453 . . . . 0.0 109.775 170.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.763 ' HE2' ' CG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -45.29 -72.89 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 175.814 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.462 ' HA ' ' HB2' ' A' ' 36' ' ' TRP . 60.8 m -59.32 -43.05 92.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.485 -170.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.404 HD22 ' O ' ' A' ' 32' ' ' LEU . 2.1 tm? -59.93 -34.37 73.14 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 122.131 0.967 . . . . 0.0 109.799 -177.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.684 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 10.5 mttm -77.0 -26.53 53.96 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 122.056 0.931 . . . . 0.0 111.881 -174.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.462 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 22.2 m-80 -112.81 8.06 18.66 Favored 'General case' 0 C--O 1.246 0.891 0 C-N-CA 123.067 0.547 . . . . 0.0 112.06 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 47.9 83.66 0.03 OUTLIER 'General case' 0 CA--C 1.506 -0.724 0 CA-C-O 122.41 1.1 . . . . 0.0 111.772 -171.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.602 ' CE3' HG21 ' A' ' 13' ' ' ILE . 32.5 m0 -128.68 176.0 8.14 Favored 'General case' 0 C--O 1.246 0.898 0 O-C-N 121.221 -0.925 . . . . 0.0 110.304 -177.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.34 65.78 0.64 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.063 0.935 . . . . 0.0 110.595 -177.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.515 ' H ' ' HD3' ' A' ' 27' ' ' LYS . 19.7 t -38.2 104.21 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.889 1.328 . . . . 0.0 111.835 174.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.474 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -97.66 94.69 7.11 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 123.318 1.532 . . . . 0.0 112.191 179.21 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.535 ' CE1' ' HB3' ' A' ' 11' ' ' CYS . 10.6 m-85 -98.73 13.57 31.76 Favored 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.084 -1.01 . . . . 0.0 110.754 169.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -77.96 146.31 71.56 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-O 121.969 0.89 . . . . 0.0 111.479 -170.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -81.78 -18.95 7.58 Favored 'Trans proline' 0 N--CA 1.53 3.631 1 C-N-CA 126.34 4.694 . . . . 0.0 115.902 177.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.3 mttp . . . . . 0 C--O 1.27 2.138 0 CA-C-O 122.08 0.943 . . . . 0.0 110.915 -177.26 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.528 0 CA-C-O 121.801 0.81 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.05 157.21 18.42 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.642 0.734 . . . . 0.0 110.989 177.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.2 mp -94.11 20.11 8.38 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 121.145 0.497 . . . . 0.0 112.031 176.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 4' ' ' LEU . 3.5 pp -163.23 136.04 5.48 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.968 0.889 . . . . 0.0 110.851 -173.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 p -169.3 46.79 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.883 0.849 . . . . 0.0 111.01 -172.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.68 ' O ' HG23 ' A' ' 7' ' ' ILE . 0.3 OUTLIER 79.34 -174.17 0.06 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.118 0.961 . . . . 0.0 111.579 172.058 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.68 HG23 ' O ' ' A' ' 6' ' ' SER . 0.6 OUTLIER 152.67 136.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.249 1.033 0 C-N-CA 125.51 1.524 . . . . 0.0 108.293 -171.452 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.24 -96.64 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.841 0 O-C-N 121.263 -0.898 . . . . 0.0 110.977 -171.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.596 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -77.24 -163.93 0.42 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.686 0.755 . . . . 0.0 112.778 -170.318 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' A' ' 9' ' ' GLN . . . 89.76 140.89 0.04 OUTLIER 'General case' 0 C--O 1.251 1.132 0 C-N-CA 124.949 1.299 . . . . 0.0 108.213 -169.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 39' ' ' ARG . 20.2 p -76.77 171.8 14.13 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 124.158 1.933 . . . . 0.0 114.222 -166.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.654 ' HB2' ' HB3' ' A' ' 39' ' ' ARG . 2.3 t70 -71.39 -36.04 71.27 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 114.574 -1.194 . . . . 0.0 112.179 -178.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.507 HG21 ' CE3' ' A' ' 36' ' ' TRP . 2.7 mm -59.33 -32.96 49.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 O-C-N 121.346 -0.846 . . . . 0.0 112.746 178.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.836 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 7.1 m -79.65 -36.62 37.55 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.146 0.498 . . . . 0.0 111.074 -173.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.65 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -54.89 -58.18 8.62 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-O 121.796 0.808 . . . . 0.0 111.802 170.888 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.3 mt -61.26 -54.62 41.76 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-O 122.876 1.322 . . . . 0.0 110.184 -170.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.919 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -76.45 -20.9 56.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.04 -173.826 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.6 mttt 58.7 72.47 0.53 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 123.325 1.536 . . . . 0.0 109.284 -170.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.919 ' CD2' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -127.49 -179.49 4.94 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.134 -179.039 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -88.73 137.57 32.2 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 121.6 -0.688 . . . . 0.0 110.992 -174.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.836 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 20.8 t -143.0 77.14 1.56 Allowed 'General case' 0 C--O 1.249 1.071 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -172.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.63 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 5.9 p -43.44 -22.58 0.04 OUTLIER 'General case' 0 C--O 1.249 1.077 0 O-C-N 120.806 -1.184 . . . . 0.0 112.764 164.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 22' ' ' SER . 0.0 OUTLIER 68.81 30.23 4.84 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 122.951 1.358 . . . . 0.0 111.592 178.542 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.893 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.5 pt-20 -57.91 161.77 3.71 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 120.653 -1.28 . . . . 0.0 110.758 163.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.689 ' HG2' ' CE2' ' A' ' 40' ' ' TYR . 27.4 mtmt -135.32 154.26 78.55 Favored Pre-proline 0 C--O 1.243 0.728 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.235 -168.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.41 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 85.3 Cg_endo -65.19 -41.67 0.7 Allowed 'Cis proline' 0 N--CA 1.532 3.745 0 N-CA-C 115.436 1.283 . . . . 0.0 115.436 -3.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.937 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -106.33 145.08 32.11 Favored 'General case' 0 C--O 1.252 1.191 0 O-C-N 121.007 -1.058 . . . . 0.0 109.065 172.311 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.893 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.1 p -53.53 -178.29 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 123.068 1.413 . . . . 0.0 109.528 170.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.502 ' HB2' ' OE2' ' A' ' 24' ' ' GLU . . . -56.17 -43.72 78.63 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.454 1.121 . . . . 0.0 109.481 169.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.62 ' HD3' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -73.61 -36.9 65.56 Favored 'General case' 0 C--O 1.28 2.705 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -168.595 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.55 ' HB2' ' HB2' ' A' ' 27' ' ' LYS . 74.4 m -65.86 -39.47 90.75 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 122.765 2.53 . . . . 0.0 108.615 170.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.937 ' HB2' ' HD2' ' A' ' 27' ' ' LYS . 5.5 tt -56.22 -37.02 69.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.081 0.943 . . . . 0.0 110.287 177.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.98 -32.37 69.19 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.164 0.983 . . . . 0.0 110.692 -172.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.504 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 11.9 m-80 -112.02 3.91 17.74 Favored 'General case' 0 C--O 1.248 1.024 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.193 -173.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 52.87 82.65 0.07 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.387 1.089 . . . . 0.0 110.077 -171.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.507 ' CE3' HG21 ' A' ' 13' ' ' ILE . 22.6 m0 -127.06 173.09 9.95 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.816 0.817 . . . . 0.0 110.682 -175.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.22 60.99 0.72 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.367 0.604 . . . . 0.0 109.961 -177.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.43 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 23.8 t -39.45 105.89 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 123.316 1.531 . . . . 0.0 110.523 176.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.654 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 6.4 ttt180 -95.11 154.44 17.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.902 175.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.689 ' CE2' ' HG2' ' A' ' 25' ' ' LYS . 2.4 m-30 -137.02 20.16 3.01 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 123.684 0.794 . . . . 0.0 111.161 -172.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.878 ' N ' ' HD3' ' A' ' 42' ' ' PRO . 1.2 p 67.21 34.07 0.11 Allowed Pre-proline 0 C--N 1.319 -0.719 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -173.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.878 ' HD3' ' N ' ' A' ' 41' ' ' SER . 37.6 Cg_exo -63.25 -30.65 74.16 Favored 'Trans proline' 0 N--CA 1.533 3.849 1 C-N-CA 126.398 4.732 . . . . 0.0 114.565 175.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp . . . . . 0 C--O 1.27 2.141 0 CA-C-O 122.111 0.958 . . . . 0.0 111.393 -172.397 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.511 0 CA-C-O 121.657 0.741 . . . . 0.0 110.793 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.49 54.64 0.72 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.939 0.876 . . . . 0.0 110.777 172.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -49.58 122.93 6.9 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.433 1.111 . . . . 0.0 111.307 -179.162 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.51 -53.41 4.21 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.839 0.828 . . . . 0.0 110.866 174.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 p 74.06 32.91 1.0 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.31 0.576 . . . . 0.0 111.841 171.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.461 ' O ' HG22 ' A' ' 7' ' ' ILE . 53.8 p -134.09 25.32 3.9 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 172.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.505 HD13 ' N ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER 121.83 146.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.252 1.236 0 C-N-CA 126.258 1.823 . . . . 0.0 108.056 168.733 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.505 ' N ' HD13 ' A' ' 7' ' ' ILE . 0.7 OUTLIER -125.76 103.38 7.78 Favored 'General case' 0 C--N 1.316 -0.891 0 O-C-N 120.775 -1.203 . . . . 0.0 110.428 171.535 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.544 ' O ' ' HE2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -46.83 129.83 11.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 122.015 0.912 . . . . 0.0 111.256 -173.276 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -167.31 146.12 5.0 Favored 'General case' 0 C--O 1.248 1.008 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.194 172.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.67 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 27.6 p -75.63 175.26 8.76 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 121.02 -1.05 . . . . 0.0 111.881 -170.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.767 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 3.4 t70 -60.22 -40.43 90.12 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.111 0.958 . . . . 0.0 110.945 176.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.583 HG21 ' CE3' ' A' ' 36' ' ' TRP . 2.0 mm -66.64 -29.88 47.91 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 O-C-N 121.611 -0.68 . . . . 0.0 112.624 -172.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.7 m -78.86 -34.19 45.23 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.367 1.08 . . . . 0.0 110.658 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.767 ' HG3' ' HA ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -50.85 -63.33 1.16 Allowed 'General case' 0 C--O 1.242 0.702 0 CA-C-O 123.168 1.461 . . . . 0.0 110.932 171.163 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.504 HD13 ' O ' ' A' ' 12' ' ' ASP . 4.0 mp -65.55 -50.56 64.72 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 120.712 -1.243 . . . . 0.0 110.578 -169.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.811 ' CB ' HD22 ' A' ' 19' ' ' LEU . 5.4 mmtm -76.63 -19.46 57.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.781 -173.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt 59.72 72.07 0.55 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 123.489 1.614 . . . . 0.0 109.489 -171.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.811 HD22 ' CB ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -122.94 178.28 5.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.547 -173.638 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -88.61 149.5 23.53 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.212 171.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 8.6 t -134.63 75.53 1.58 Allowed 'General case' 0 C--O 1.243 0.754 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -177.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.664 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 6.9 p -39.72 -22.65 0.01 OUTLIER 'General case' 0 C--O 1.245 0.855 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 170.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.664 ' HB2' ' O ' ' A' ' 22' ' ' SER . 19.7 mttt 86.43 0.56 0.6 Allowed 'General case' 0 C--O 1.251 1.182 0 C-N-CA 124.557 1.143 . . . . 0.0 113.452 170.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 1.047 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 4.3 pt-20 -46.22 159.29 0.08 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.917 1.341 . . . . 0.0 112.648 170.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' HG2' ' CE2' ' A' ' 40' ' ' TYR . 0.6 OUTLIER -138.61 149.35 62.18 Favored Pre-proline 0 C--O 1.244 0.791 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.81 -170.607 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.401 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 92.6 Cg_endo -65.64 -44.25 0.44 Allowed 'Cis proline' 0 N--CA 1.531 3.683 0 N-CA-C 115.527 1.318 . . . . 0.0 115.527 -3.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.488 ' HB2' ' HB2' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -96.07 140.21 31.12 Favored 'General case' 0 C--O 1.245 0.853 0 O-C-N 120.734 -1.229 . . . . 0.0 110.091 177.232 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 1.047 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 2.0 p -58.22 -173.71 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.52 1.152 . . . . 0.0 110.433 171.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.657 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -61.43 -40.74 95.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.742 1.258 . . . . 0.0 110.13 170.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.75 ' HE2' ' CD2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -48.13 -73.64 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 176.654 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.488 ' HB2' ' HB2' ' A' ' 27' ' ' LYS . 64.9 m -59.89 -38.22 81.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.36 -171.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -61.15 -37.97 84.75 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 122.04 0.924 . . . . 0.0 109.978 179.223 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.657 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 3.1 mttt -66.57 -30.54 70.86 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 123.229 1.49 . . . . 0.0 110.425 -178.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.535 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . 2.3 m120 -115.61 8.67 15.12 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 124.159 0.984 . . . . 0.0 113.389 -169.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.421 ' N ' HD22 ' A' ' 35' ' ' ASN . 0.0 OUTLIER 40.16 79.27 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 122.496 1.141 . . . . 0.0 111.433 -170.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.628 ' HZ3' ' HG3' ' A' ' 30' ' ' LYS . 21.0 m0 -122.49 177.31 5.47 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 124.108 0.963 . . . . 0.0 110.458 -173.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.67 63.22 0.72 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.207 1.003 . . . . 0.0 111.037 -178.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.427 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 10.2 t -45.17 108.2 0.12 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 123.056 1.407 . . . . 0.0 112.067 174.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.498 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 0.4 OUTLIER -96.64 147.33 24.0 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.436 167.605 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.569 ' O ' ' HB3' ' A' ' 41' ' ' SER . 3.4 m-30 -121.99 -32.57 3.7 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 120.841 -1.162 . . . . 0.0 112.094 171.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.972 ' HB2' ' HD2' ' A' ' 42' ' ' PRO . 96.4 p 157.89 -177.7 0.01 OUTLIER Pre-proline 0 C--N 1.318 -0.8 0 C-N-CA 124.856 1.262 . . . . 0.0 110.174 -169.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.972 ' HD2' ' HB2' ' A' ' 41' ' ' SER . 9.8 Cg_exo -38.34 -34.04 0.34 Allowed 'Trans proline' 0 N--CA 1.53 3.636 1 C-N-CA 126.295 4.663 . . . . 0.0 114.662 176.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.138 0 CA-C-O 122.077 0.942 . . . . 0.0 110.974 171.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.401 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 6.1 tpt . . . . . 0 CA--C 1.512 -0.483 0 CA-C-O 121.637 0.732 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 1' ' ' MET . 9.4 tppt? 90.37 -37.78 0.02 OUTLIER 'General case' 0 C--O 1.244 0.81 0 C-N-CA 124.721 1.209 . . . . 0.0 111.637 172.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.716 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -131.49 102.8 6.08 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.5 -0.75 . . . . 0.0 111.415 -172.486 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.708 HD23 ' C ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER 161.87 -42.03 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 125.2 1.4 . . . . 0.0 109.824 171.214 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.485 ' HB2' HD23 ' A' ' 4' ' ' LEU . 44.9 t -171.73 -75.41 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.919 0.866 . . . . 0.0 111.076 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 m 70.82 161.16 0.22 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.175 0.512 . . . . 0.0 111.041 175.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 172.36 -15.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -171.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.88 93.29 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 122.59 1.185 . . . . 0.0 111.178 172.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -69.06 145.48 53.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.86 173.827 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 9' ' ' GLN . . . -177.72 147.91 0.52 Allowed 'General case' 0 C--O 1.249 1.058 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.373 173.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 39' ' ' ARG . 23.0 p -74.55 170.95 14.71 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 122.592 1.187 . . . . 0.0 112.496 -171.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -61.24 -53.08 61.34 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.182 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.735 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 1.4 mm -53.01 -28.76 14.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -172.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.511 ' SG ' HD12 ' A' ' 19' ' ' LEU . 5.5 m -79.36 -36.94 38.53 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.653 0.74 . . . . 0.0 110.883 -179.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.85 -64.05 0.94 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 123.468 1.604 . . . . 0.0 111.723 172.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mp -68.9 -46.37 68.52 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 120.356 -1.465 . . . . 0.0 110.424 -169.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 1.011 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 4.4 mttt -76.31 -16.94 59.66 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.506 -173.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 57.16 71.82 0.55 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 123.436 1.589 . . . . 0.0 110.172 -175.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.011 ' CD2' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -133.66 -179.1 5.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.973 -179.569 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HE2' ' HB3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -88.77 150.2 23.06 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.964 178.043 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.763 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 5.8 t -132.58 71.76 1.48 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.274 0.559 . . . . 0.0 112.234 -177.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.613 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.2 p -39.57 -23.38 0.01 OUTLIER 'General case' 0 C--O 1.246 0.901 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 169.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.763 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 18.6 mttt 87.72 2.45 0.38 Allowed 'General case' 0 C--O 1.252 1.191 0 C-N-CA 124.616 1.166 . . . . 0.0 113.76 168.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.975 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.5 pt-20 -45.57 157.74 0.09 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 122.663 1.221 . . . . 0.0 111.908 170.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.892 ' HD3' ' CZ ' ' A' ' 40' ' ' TYR . 6.4 mmmm -138.97 155.24 73.02 Favored Pre-proline 0 C--O 1.247 0.953 0 CA-C-N 115.08 -0.963 . . . . 0.0 111.396 -171.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.798 ' HG2' ' HD3' ' A' ' 27' ' ' LYS . 91.8 Cg_endo -65.0 -38.83 1.05 Allowed 'Cis proline' 0 N--CA 1.529 3.593 0 N-CA-C 115.968 1.488 . . . . 0.0 115.968 -3.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.798 ' HD3' ' HG2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -101.78 141.23 34.96 Favored 'General case' 0 C--O 1.25 1.104 0 O-C-N 121.391 -0.818 . . . . 0.0 110.102 172.581 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.975 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -55.84 -176.96 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.689 1.233 . . . . 0.0 110.104 171.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.744 ' O ' ' HG2' ' A' ' 33' ' ' LYS . . . -62.62 -39.78 94.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 123.408 1.575 . . . . 0.0 109.739 170.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.875 ' CG ' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -44.66 -72.95 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 174.739 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.465 ' HA ' ' HB2' ' A' ' 36' ' ' TRP . 61.9 m -59.1 -43.48 91.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.778 0.799 . . . . 0.0 110.442 -170.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -60.11 -33.33 71.98 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 122.077 0.942 . . . . 0.0 110.018 -176.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.744 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 1.2 mmtt -76.92 -28.13 55.16 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.138 0.97 . . . . 0.0 111.856 -175.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.458 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 13.4 m-80 -111.64 11.02 21.11 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.734 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 43.81 83.07 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.407 1.099 . . . . 0.0 111.274 -172.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.569 ' CE3' HG21 ' A' ' 13' ' ' ILE . 27.9 m0 -125.29 174.61 8.01 Favored 'General case' 0 C--O 1.248 0.998 0 O-C-N 121.173 -0.955 . . . . 0.0 110.033 -176.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -107.57 63.75 0.63 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 122.277 1.036 . . . . 0.0 110.511 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.8 t -37.44 110.71 0.13 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.793 1.282 . . . . 0.0 111.264 172.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.48 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -95.91 149.6 21.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.195 -0.912 . . . . 0.0 109.911 170.66 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.892 ' CZ ' ' HD3' ' A' ' 25' ' ' LYS . 9.7 m-85 -141.03 170.36 15.88 Favored 'General case' 0 C--O 1.251 1.144 0 C-N-CA 123.569 0.748 . . . . 0.0 110.217 177.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.852 ' HB3' ' HD2' ' A' ' 42' ' ' PRO . 36.5 m -50.99 170.96 0.18 Allowed Pre-proline 0 C--N 1.319 -0.745 0 O-C-N 120.937 -1.102 . . . . 0.0 110.15 169.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.852 ' HD2' ' HB3' ' A' ' 41' ' ' SER . 2.5 Cg_endo -41.54 -82.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.528 3.55 1 C-N-CA 126.889 5.059 . . . . 0.0 114.8 -177.189 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt . . . . . 0 C--O 1.271 2.23 0 CA-C-O 122.02 0.914 . . . . 0.0 111.097 -173.775 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.673 0 CA-C-O 121.634 0.731 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt 46.21 33.38 1.76 Allowed 'General case' 0 C--O 1.246 0.909 0 O-C-N 121.338 -0.851 . . . . 0.0 113.188 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.434 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 1.8 pp -154.08 41.45 0.5 Allowed 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.626 -0.671 . . . . 0.0 111.544 171.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.434 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 25.2 tp 95.28 -84.92 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 126.471 1.909 . . . . 0.0 110.096 -170.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -176.6 -75.08 0.01 OUTLIER 'General case' 0 C--O 1.244 0.794 0 O-C-N 121.7 -0.625 . . . . 0.0 111.062 -176.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.92 114.39 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.108 0.956 . . . . 0.0 112.566 -177.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.637 HG23 ' H ' ' A' ' 8' ' ' GLU . 1.9 tp -169.91 -79.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 122.89 1.329 . . . . 0.0 109.974 169.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.637 ' H ' HG23 ' A' ' 7' ' ' ILE . 16.6 tt0 164.0 110.73 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 114.036 -1.438 . . . . 0.0 110.185 170.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.491 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -51.64 153.59 2.29 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.121 0.963 . . . . 0.0 110.579 -177.501 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 9' ' ' GLN . . . 171.92 147.29 0.04 OUTLIER 'General case' 0 C--O 1.25 1.081 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.097 -171.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.533 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 20.5 p -72.82 172.31 11.05 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 122.698 1.237 . . . . 0.0 112.733 -170.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.774 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 6.6 t0 -68.68 -41.26 79.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.499 -178.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.539 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.8 mm -59.73 -29.18 42.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -177.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.7 m -77.86 -33.16 52.27 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.939 1.352 . . . . 0.0 110.111 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.774 ' HG3' ' HA ' ' A' ' 12' ' ' ASP . 21.0 mtp180 -50.39 -63.84 1.0 Allowed 'General case' 0 C--O 1.242 0.68 0 CA-C-O 123.265 1.507 . . . . 0.0 111.091 170.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 12' ' ' ASP . 2.9 mp -65.21 -52.41 54.92 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 120.685 -1.259 . . . . 0.0 110.776 -168.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.78 ' HB2' HD22 ' A' ' 19' ' ' LEU . 5.1 mptt -75.71 -18.75 59.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.472 -173.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.0 mttp 59.02 74.22 0.45 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 123.892 1.806 . . . . 0.0 109.208 -171.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.78 HD22 ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -121.29 165.8 14.95 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.187 -1.369 . . . . 0.0 109.804 -178.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.758 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -87.58 135.61 33.28 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.568 0.699 . . . . 0.0 110.629 172.013 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.1 t -118.36 79.42 1.38 Allowed 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.844 -0.535 . . . . 0.0 112.392 -170.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.614 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 10.1 p -39.45 -29.71 0.05 Allowed 'General case' 0 C--O 1.243 0.74 0 O-C-N 121.425 -0.797 . . . . 0.0 112.882 168.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.614 ' HB2' ' O ' ' A' ' 22' ' ' SER . 2.9 mttp 87.88 7.9 0.18 Allowed 'General case' 0 C--O 1.255 1.384 0 C-N-CA 124.647 1.179 . . . . 0.0 113.717 169.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 1.014 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.5 pt-20 -46.35 156.37 0.17 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 122.783 1.277 . . . . 0.0 110.618 169.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.419 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 4.2 mttt -137.81 147.81 58.31 Favored Pre-proline 0 C--O 1.244 0.765 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.154 -168.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.419 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 97.5 Cg_endo -65.98 -42.21 0.67 Allowed 'Cis proline' 0 N--CA 1.531 3.705 0 N-CA-C 115.726 1.395 . . . . 0.0 115.726 -3.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.545 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -103.11 133.05 48.87 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 120.926 -1.109 . . . . 0.0 110.38 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 1.014 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -55.9 -175.49 0.01 OUTLIER 'General case' 0 C--O 1.241 0.639 0 CA-C-O 122.682 1.229 . . . . 0.0 110.205 173.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' A' ' 33' ' ' LYS . . . -58.2 -43.88 87.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.735 1.255 . . . . 0.0 109.873 170.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.53 ' HG3' ' HZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -53.1 -68.29 0.18 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 -178.162 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 55.5 m -57.22 -37.63 72.54 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.782 -0.574 . . . . 0.0 110.454 -175.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -59.73 -39.2 83.89 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 122.131 0.967 . . . . 0.0 110.192 179.117 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 29.9 mmtt -68.1 -31.47 71.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 123.16 1.457 . . . . 0.0 110.835 -177.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.546 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . 2.7 m120 -110.28 2.04 18.95 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-N 114.981 -1.008 . . . . 0.0 112.615 -170.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 47.98 78.32 0.08 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.607 1.194 . . . . 0.0 110.82 -171.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.546 ' CD2' ' HB2' ' A' ' 34' ' ' ASN . 18.0 m0 -126.0 178.22 5.88 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 123.695 0.798 . . . . 0.0 110.752 -172.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.635 ' HG2' ' HD3' ' A' ' 39' ' ' ARG . 6.1 tt0 -107.1 64.75 0.64 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.075 0.94 . . . . 0.0 111.59 -178.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.2 t -45.99 98.31 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.202 1.001 . . . . 0.0 111.435 172.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.635 ' HD3' ' HG2' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -107.3 98.61 8.22 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.842 1.306 . . . . 0.0 113.635 178.001 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.61 ' O ' ' HB2' ' A' ' 41' ' ' SER . 29.5 m-85 -98.46 -33.64 10.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 121.197 -0.939 . . . . 0.0 109.392 169.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.61 ' HB2' ' O ' ' A' ' 40' ' ' TYR . 3.5 m 81.09 153.63 0.12 Allowed Pre-proline 0 C--N 1.319 -0.747 0 CA-C-O 121.933 0.873 . . . . 0.0 110.961 177.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -74.13 -33.4 5.92 Favored 'Trans proline' 0 N--CA 1.526 3.439 1 C-N-CA 126.164 4.576 . . . . 0.0 115.07 -177.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.27 2.178 0 CA-C-O 121.931 0.872 . . . . 0.0 111.018 -175.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.5 mtp . . . . . 0 CA--C 1.511 -0.544 0 CA-C-O 121.887 0.851 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? -82.76 -29.45 29.66 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.279 0.562 . . . . 0.0 111.289 172.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 17.1 tp -94.29 30.26 1.99 Allowed 'General case' 0 C--N 1.319 -0.725 0 O-C-N 121.599 -0.688 . . . . 0.0 111.589 -173.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 tp -143.03 64.6 1.35 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.932 0.872 . . . . 0.0 110.701 172.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.18 164.5 23.24 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.404 0.621 . . . . 0.0 110.517 172.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 m -54.81 166.51 0.48 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.075 0.941 . . . . 0.0 110.776 172.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.596 HG23 ' H ' ' A' ' 8' ' ' GLU . 4.2 tp -143.99 -150.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.252 1.192 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 172.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.596 ' H ' HG23 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -82.24 -28.88 31.62 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.34 0.59 . . . . 0.0 111.524 -171.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.779 ' HG2' ' HE3' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -69.56 128.23 35.78 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 167.825 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 9' ' ' GLN . . . -176.49 131.68 0.21 Allowed 'General case' 0 C--O 1.263 1.786 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 172.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.555 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 20.5 p -65.22 159.26 24.08 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 123.235 1.493 . . . . 0.0 113.124 -167.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' A' ' 16' ' ' LEU . 11.7 t70 -60.28 -32.08 70.85 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.401 -177.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.791 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -70.27 -33.21 53.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.451 0.643 . . . . 0.0 112.67 -176.459 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.595 ' HA ' HD12 ' A' ' 19' ' ' LEU . 2.5 m -82.68 -38.23 23.72 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.855 0.836 . . . . 0.0 111.453 -172.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -67.79 -59.01 3.65 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 172.112 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.498 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -48.11 -56.42 7.85 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 120.962 -1.086 . . . . 0.0 110.282 174.185 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.791 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 10.7 mmtt -78.02 -10.47 59.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.32 -176.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 mttm 58.21 29.07 17.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 123.98 1.848 . . . . 0.0 112.23 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.738 ' CD2' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -96.72 174.46 6.8 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.191 -1.368 . . . . 0.0 111.029 174.138 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mtmm -89.01 147.29 24.36 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.323 -172.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.488 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 8.5 t -124.6 94.76 4.29 Favored 'General case' 0 C--O 1.244 0.8 0 O-C-N 121.525 -0.734 . . . . 0.0 112.823 -171.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.2 p -49.99 -17.53 0.41 Allowed 'General case' 0 C--O 1.25 1.115 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 167.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.779 ' HE3' ' HG2' ' A' ' 9' ' ' GLN . 0.9 OUTLIER 63.83 -4.39 0.36 Allowed 'General case' 0 C--O 1.263 1.814 0 N-CA-C 118.061 2.615 . . . . 0.0 118.061 -178.481 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 1.074 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.6 pt-20 -43.51 160.79 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 121.481 1.946 . . . . 0.0 110.73 170.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 1.9 mtpm? -136.08 149.98 69.87 Favored Pre-proline 0 C--O 1.242 0.68 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.424 -168.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.412 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 95.7 Cg_endo -66.36 -43.27 0.56 Allowed 'Cis proline' 0 N--CA 1.532 3.782 0 N-CA-C 115.754 1.405 . . . . 0.0 115.754 -3.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HA ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -100.25 139.04 36.49 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 120.981 -1.074 . . . . 0.0 109.53 175.547 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 1.074 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.5 p -53.88 179.53 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.798 1.285 . . . . 0.0 109.848 171.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.428 ' N ' ' CD ' ' A' ' 24' ' ' GLU . . . -51.23 -46.36 62.24 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.963 1.363 . . . . 0.0 109.555 171.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.586 ' HG2' ' HZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -69.62 -50.11 47.41 Favored 'General case' 0 C--O 1.266 1.948 0 N-CA-C 116.542 2.053 . . . . 0.0 116.542 -169.731 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.454 ' HA ' ' HB2' ' A' ' 36' ' ' TRP . 67.9 m -57.91 -38.88 76.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 120.321 1.419 . . . . 0.0 108.981 179.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.499 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.7 tm? -62.02 -36.53 81.84 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.424 0.631 . . . . 0.0 110.599 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -70.46 -29.71 66.33 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 123.294 1.521 . . . . 0.0 111.313 -178.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.493 ' HB2' ' CD2' ' A' ' 36' ' ' TRP . 28.1 m120 -107.87 -1.32 20.87 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 124.696 1.198 . . . . 0.0 112.021 -172.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.29 78.19 0.09 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 122.905 1.336 . . . . 0.0 110.846 -170.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.586 ' HZ3' ' HG2' ' A' ' 30' ' ' LYS . 15.8 m0 -123.02 178.22 5.17 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 124.281 1.032 . . . . 0.0 110.423 -172.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.74 63.95 0.62 Allowed 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.174 -0.953 . . . . 0.0 111.45 -177.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.423 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 20.1 t -50.19 96.71 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.494 1.14 . . . . 0.0 111.731 175.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.41 108.21 19.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 123.325 1.536 . . . . 0.0 114.112 173.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 11' ' ' CYS . 52.7 m-85 -95.94 -35.45 11.43 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 120.465 -1.397 . . . . 0.0 110.15 177.061 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.787 ' N ' ' HD2' ' A' ' 42' ' ' PRO . 0.9 OUTLIER 162.06 -49.45 0.0 OUTLIER Pre-proline 0 C--N 1.318 -0.768 0 CA-C-O 122.077 0.942 . . . . 0.0 110.506 -177.095 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.787 ' HD2' ' N ' ' A' ' 41' ' ' SER . 24.9 Cg_endo -55.59 -69.37 0.05 OUTLIER 'Trans proline' 0 N--CA 1.528 3.544 1 C-N-CA 126.586 4.857 . . . . 0.0 114.982 177.682 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.187 0 CA-C-O 121.901 0.858 . . . . 0.0 111.284 -171.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.1 mmm . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 121.689 0.756 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.57 30.87 6.07 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 123.07 1.414 . . . . 0.0 110.577 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 tp -141.28 169.97 16.61 Favored 'General case' 0 CA--C 1.512 -0.517 0 O-C-N 121.372 -0.83 . . . . 0.0 110.811 -173.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -165.66 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.679 0.752 . . . . 0.0 110.789 177.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.11 -77.05 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.607 0.717 . . . . 0.0 110.648 174.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.34 -162.73 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 175.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.573 HG22 ' O ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -177.36 96.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.254 1.299 0 O-C-N 122.094 -0.379 . . . . 0.0 111.075 172.596 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -103.01 79.04 1.71 Allowed 'General case' 0 C--N 1.317 -0.806 0 O-C-N 120.264 -1.523 . . . . 0.0 109.73 167.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.56 ' O ' ' HG3' ' A' ' 9' ' ' GLN . 9.7 pt20 -87.62 36.1 0.74 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 123.276 1.513 . . . . 0.0 114.789 -170.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.44 106.55 0.06 Allowed 'General case' 0 C--O 1.251 1.168 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.644 169.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.536 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 16.4 p -53.42 170.81 0.09 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 122.739 1.257 . . . . 0.0 112.007 -178.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -73.59 -29.07 62.17 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.929 -174.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.792 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 17.6 mm -74.19 -22.37 18.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.0 m -78.82 -37.04 41.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.179 0.99 . . . . 0.0 110.57 176.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.514 ' HG2' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -54.26 -61.86 2.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 123.148 1.451 . . . . 0.0 112.158 170.523 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.663 HD23 ' HA ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -68.64 -43.1 77.01 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 120.502 -1.374 . . . . 0.0 110.381 -169.538 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.898 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -77.92 -24.32 48.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.995 -176.665 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.735 ' C ' HD13 ' A' ' 19' ' ' LEU . 22.6 mtmm 59.1 73.31 0.49 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 123.546 1.641 . . . . 0.0 110.729 -170.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.898 ' CD2' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -127.54 -175.74 3.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 122.678 1.228 . . . . 0.0 109.78 172.662 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.9 153.73 20.41 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.861 170.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.659 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 2.0 t -126.07 80.26 1.9 Allowed 'General case' 0 C--N 1.32 -0.676 0 O-C-N 121.766 -0.584 . . . . 0.0 112.047 -178.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.62 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 4.9 p -39.94 -35.01 0.32 Allowed 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.508 -0.745 . . . . 0.0 112.65 170.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.659 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 10.1 mttt 84.64 76.64 0.02 OUTLIER 'General case' 0 C--O 1.269 2.114 0 C-N-CA 124.054 0.942 . . . . 0.0 111.065 169.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.958 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.6 pt-20 -132.25 167.63 19.5 Favored 'General case' 0 C--N 1.315 -0.893 0 O-C-N 118.196 -2.815 . . . . 0.0 109.438 -174.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 1.1 mttp -126.35 139.7 35.26 Favored Pre-proline 0 CA--C 1.509 -0.619 0 O-C-N 121.225 -0.922 . . . . 0.0 112.735 -168.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.61 ' HG2' ' HG2' ' A' ' 27' ' ' LYS . 87.0 Cg_endo -66.7 -47.86 0.25 Allowed 'Cis proline' 0 N--CA 1.535 3.946 0 N-CA-C 116.106 1.541 . . . . 0.0 116.106 -2.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.628 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -104.28 151.18 23.72 Favored 'General case' 0 C--O 1.255 1.359 0 O-C-N 120.672 -1.267 . . . . 0.0 109.748 -176.906 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.958 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -54.01 -175.57 0.01 OUTLIER 'General case' 0 C--O 1.248 0.978 0 CA-C-O 123.08 1.419 . . . . 0.0 109.148 169.365 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.674 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -59.02 -41.93 88.96 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 123.354 1.549 . . . . 0.0 109.658 168.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.851 ' HE2' ' HG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -48.49 -72.26 0.05 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 178.426 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.628 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 56.3 m -60.94 -39.36 89.18 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.47 -171.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.46 HD12 ' HG3' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -56.36 -40.94 75.34 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.24 1.019 . . . . 0.0 109.618 178.422 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.674 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 6.0 mttm -70.6 -30.21 66.82 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.357 1.075 . . . . 0.0 110.985 -174.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.478 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 0.9 OUTLIER -119.41 26.15 9.61 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.055 -174.583 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 40.02 66.84 0.54 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 125.306 2.479 . . . . 0.0 111.811 174.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.57 ' CE3' HG21 ' A' ' 13' ' ' ILE . 25.1 m0 -119.16 173.28 7.02 Favored 'General case' 0 C--O 1.248 0.994 0 O-C-N 120.438 -1.414 . . . . 0.0 110.228 -171.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.69 65.98 0.65 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.039 0.924 . . . . 0.0 110.783 -175.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.43 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 10.8 t -40.69 99.19 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.834 1.302 . . . . 0.0 111.375 172.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -96.95 105.6 17.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 124.543 2.116 . . . . 0.0 112.21 175.356 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.536 ' CE1' ' HB3' ' A' ' 11' ' ' CYS . 3.0 m-85 -98.69 46.92 0.98 Allowed 'General case' 0 C--O 1.244 0.816 0 O-C-N 120.166 -1.584 . . . . 0.0 111.457 -172.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.51 137.54 69.62 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-O 121.451 0.643 . . . . 0.0 110.194 -176.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -51.97 -63.03 0.29 Allowed 'Trans proline' 0 N--CA 1.53 3.636 1 C-N-CA 126.25 4.634 . . . . 0.0 114.475 -176.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.272 2.266 0 CA-C-O 121.86 0.838 . . . . 0.0 111.002 -178.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 tpp . . . . . 0 CA--C 1.512 -0.518 0 CA-C-O 121.826 0.822 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -89.48 107.95 19.37 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.749 0.785 . . . . 0.0 110.839 173.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.425 ' C ' HD12 ' A' ' 3' ' ' LEU . 0.7 OUTLIER -153.95 53.93 0.71 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.907 0.86 . . . . 0.0 110.965 -176.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' A' ' 5' ' ' SER . 3.2 tp -112.03 -138.39 0.38 Allowed 'General case' 0 C--O 1.244 0.809 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.278 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 4' ' ' LEU . 1.6 t 96.35 -68.91 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 124.329 1.052 . . . . 0.0 110.716 171.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -139.42 111.23 7.26 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.567 0.698 . . . . 0.0 110.981 -173.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.607 HG23 ' O ' ' A' ' 7' ' ' ILE . 3.0 tp -155.05 70.88 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-O 122.851 1.31 . . . . 0.0 111.089 174.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.21 -132.06 0.29 Allowed 'General case' 0 C--O 1.248 0.998 0 O-C-N 121.214 -0.929 . . . . 0.0 110.776 -174.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.542 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -71.99 -168.55 0.39 Allowed 'General case' 0 C--N 1.318 -0.783 0 O-C-N 120.892 -1.13 . . . . 0.0 113.443 -170.055 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 9' ' ' GLN . . . 120.18 121.84 0.0 OUTLIER 'General case' 0 C--O 1.258 1.528 0 C-N-CA 128.058 2.543 . . . . 0.0 108.464 -171.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.543 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 21.0 p -71.65 173.92 7.44 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 120.937 1.699 . . . . 0.0 110.916 -171.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.535 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 8.0 t70 -65.73 -48.39 72.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.534 0.683 . . . . 0.0 110.596 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.485 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.5 mm -49.23 -35.25 7.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -177.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.4 m -76.54 -35.71 58.09 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 122.282 1.039 . . . . 0.0 109.669 -177.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.684 ' CD ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -49.79 -59.9 3.39 Favored 'General case' 0 C--O 1.246 0.891 0 CA-C-O 122.974 1.369 . . . . 0.0 111.789 172.041 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.684 HD12 ' CD ' ' A' ' 15' ' ' ARG . 8.6 mp -68.08 -48.44 65.53 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 120.183 -1.573 . . . . 0.0 110.584 -167.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 1.011 ' HB2' HD22 ' A' ' 19' ' ' LEU . 13.7 mmmt -77.0 -17.9 58.56 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.691 -172.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.403 ' C ' HD13 ' A' ' 19' ' ' LEU . 22.6 mtmt 63.51 75.08 0.4 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 123.977 1.846 . . . . 0.0 109.281 -171.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.023 HD21 ' HE2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -129.75 168.89 15.84 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.161 -1.382 . . . . 0.0 110.121 -174.763 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 15.5 mtmt -89.14 156.86 18.54 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.478 169.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.4 t -140.35 78.44 1.66 Allowed 'General case' 0 C--O 1.246 0.879 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -173.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.6 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 6.3 p -39.17 -25.95 0.02 OUTLIER 'General case' 0 C--O 1.246 0.881 0 O-C-N 121.241 -0.912 . . . . 0.0 113.235 168.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.6 ' HB2' ' O ' ' A' ' 22' ' ' SER . 2.1 mttp 83.93 4.69 0.76 Allowed 'General case' 0 C--O 1.252 1.196 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 169.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 1.053 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 2.2 pt-20 -46.65 159.59 0.09 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.718 1.247 . . . . 0.0 111.612 171.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.418 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 5.7 mtpt -138.25 154.06 73.56 Favored Pre-proline 0 C--O 1.245 0.831 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.762 -170.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.465 ' HG2' ' HG3' ' A' ' 27' ' ' LYS . 81.6 Cg_endo -64.21 -41.04 0.7 Allowed 'Cis proline' 0 N--CA 1.529 3.608 0 N-CA-C 115.536 1.322 . . . . 0.0 115.536 -3.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.616 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -105.05 139.35 39.86 Favored 'General case' 0 C--O 1.246 0.878 0 O-C-N 121.082 -1.011 . . . . 0.0 110.203 174.394 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 1.053 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.7 p -54.28 -177.37 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.834 1.302 . . . . 0.0 109.891 171.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -52.56 -46.98 67.06 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.872 1.32 . . . . 0.0 109.678 170.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 1.023 ' HE2' HD21 ' A' ' 19' ' ' LEU . 9.0 tttt -68.75 -50.45 50.46 Favored 'General case' 0 C--O 1.262 1.747 0 N-CA-C 116.85 2.167 . . . . 0.0 116.85 -169.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.616 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 62.3 m -58.81 -38.35 78.44 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 120.331 -1.481 . . . . 0.0 109.02 177.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.728 HD23 ' O ' ' A' ' 32' ' ' LEU . 1.9 tt -60.47 -37.11 79.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.152 0.977 . . . . 0.0 110.304 177.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 18.3 mttp -70.33 -30.41 67.37 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.486 1.136 . . . . 0.0 111.362 -175.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.469 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 30.6 m-80 -114.86 7.7 15.78 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.922 -173.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 45.29 84.58 0.02 OUTLIER 'General case' 0 CA--C 1.506 -0.733 0 CA-C-O 122.117 0.96 . . . . 0.0 111.995 -171.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.582 ' CZ3' ' HG2' ' A' ' 30' ' ' LYS . 18.6 m0 -128.68 177.34 7.12 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.208 -0.933 . . . . 0.0 110.697 -171.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -106.94 64.16 0.64 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.18 0.99 . . . . 0.0 110.917 -179.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 20.5 t -43.46 94.83 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.511 1.148 . . . . 0.0 112.018 172.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.43 101.26 11.15 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 123.597 1.665 . . . . 0.0 113.068 -175.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 11' ' ' CYS . 33.9 m-85 -97.04 145.79 25.62 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 120.516 -1.365 . . . . 0.0 110.746 -174.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.4 t -121.45 67.71 19.74 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 121.974 0.892 . . . . 0.0 110.977 -172.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -60.47 -74.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.529 3.56 1 C-N-CA 126.249 4.632 . . . . 0.0 114.877 -177.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.271 2.184 0 CA-C-O 121.957 0.884 . . . . 0.0 111.027 -172.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.519 0 CA-C-O 121.839 0.828 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -56.58 172.4 0.24 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.735 0.778 . . . . 0.0 110.9 -177.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 3' ' ' LEU . 6.1 tp -109.32 -41.62 4.59 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.608 0.718 . . . . 0.0 111.352 -172.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.89 -101.39 0.18 Allowed 'General case' 0 C--O 1.245 0.842 0 O-C-N 121.759 -0.588 . . . . 0.0 110.734 -172.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 25.06 45.58 0.01 OUTLIER 'General case' 0 C--O 1.246 0.887 0 C-N-CA 125.665 1.586 . . . . 0.0 114.701 -174.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.427 ' C ' HG13 ' A' ' 7' ' ' ILE . 0.6 OUTLIER 67.2 166.84 0.23 Allowed 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.101 -0.999 . . . . 0.0 112.989 170.179 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.427 HG13 ' C ' ' A' ' 6' ' ' SER . 0.1 OUTLIER -179.54 92.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.259 1.583 0 CA-C-O 118.206 -0.902 . . . . 0.0 109.103 -175.244 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.13 -31.87 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 177.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.854 ' HB3' ' HG3' ' A' ' 42' ' ' PRO . 2.2 pm0 -47.81 168.18 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 124.145 1.926 . . . . 0.0 113.498 -171.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -151.56 138.26 18.82 Favored 'General case' 0 C--O 1.255 1.344 0 O-C-N 120.885 -1.134 . . . . 0.0 109.332 172.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 26.4 p -72.68 173.73 8.6 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 122.87 1.319 . . . . 0.0 113.425 -169.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.786 ' HB3' ' HB3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -57.88 -59.37 5.34 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.067 174.353 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.88 HG23 ' HD2' ' A' ' 17' ' ' LYS . 1.8 mm -51.4 -31.64 12.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -171.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.0 m -79.02 -33.46 44.86 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.734 1.254 . . . . 0.0 110.555 -177.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.763 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 50.2 mtp85 -51.61 -62.16 1.8 Allowed 'General case' 0 C--O 1.242 0.706 0 CA-C-O 123.037 1.399 . . . . 0.0 111.647 170.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.0 -50.78 64.95 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 120.608 -1.308 . . . . 0.0 110.499 -169.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 1.002 ' HD3' ' CD2' ' A' ' 19' ' ' LEU . 4.0 mtpp -77.0 -20.89 55.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.008 0.908 . . . . 0.0 111.911 -174.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.419 ' HE3' ' HB2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER 57.69 72.21 0.53 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 124.441 2.067 . . . . 0.0 108.949 -169.687 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.002 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -120.29 -176.86 3.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 113.692 -1.594 . . . . 0.0 110.563 -172.129 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -88.8 143.6 26.79 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.34 0.591 . . . . 0.0 111.39 173.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.48 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 7.7 t -134.56 77.88 1.72 Allowed 'General case' 0 C--O 1.242 0.676 0 O-C-N 121.717 -0.614 . . . . 0.0 112.507 -178.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.681 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 3.9 p -40.01 -29.47 0.07 Allowed 'General case' 0 C--O 1.246 0.885 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 170.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.681 ' HB2' ' O ' ' A' ' 22' ' ' SER . 35.8 mttt 86.31 79.11 0.02 OUTLIER 'General case' 0 C--O 1.273 2.334 0 C-N-CA 124.287 1.035 . . . . 0.0 111.33 170.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 1.009 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -141.34 167.65 21.66 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 118.05 -2.906 . . . . 0.0 110.199 -173.256 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -127.82 138.49 33.02 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-O 121.82 0.819 . . . . 0.0 112.159 -169.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -67.31 -47.97 0.25 Allowed 'Cis proline' 0 N--CA 1.536 3.99 0 N-CA-C 116.481 1.685 . . . . 0.0 116.481 -3.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.728 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -103.8 146.43 28.65 Favored 'General case' 0 C--O 1.252 1.209 0 O-C-N 120.675 -1.266 . . . . 0.0 109.647 -176.449 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 1.009 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.2 p -52.12 179.78 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 123.047 1.403 . . . . 0.0 109.356 170.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.06 -44.66 71.27 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 123.298 1.523 . . . . 0.0 109.344 169.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.903 ' HE2' ' HG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -67.84 -45.97 73.13 Favored 'General case' 0 C--O 1.27 2.142 0 N-CA-C 115.961 1.838 . . . . 0.0 115.961 -169.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.728 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 72.3 m -65.33 -38.06 88.99 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 120.146 -1.596 . . . . 0.0 108.51 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -38.01 73.22 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.324 1.059 . . . . 0.0 110.375 175.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -71.85 -27.78 63.11 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.251 -173.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.483 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 14.3 m-80 -118.88 9.14 11.88 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.291 -175.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 47.17 83.83 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 122.092 0.949 . . . . 0.0 111.085 -171.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.637 ' CH2' ' HE2' ' A' ' 17' ' ' LYS . 22.5 m0 -127.3 172.22 10.8 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.758 0.79 . . . . 0.0 110.343 -174.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 29.7 tt0 -102.21 58.83 0.82 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.969 0.89 . . . . 0.0 111.044 -172.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.2 t -47.46 111.18 0.38 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 123.342 1.544 . . . . 0.0 111.863 -177.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.786 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -95.47 163.33 13.28 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.579 168.399 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.655 ' HB3' ' HD2' ' A' ' 42' ' ' PRO . 3.0 m-85 -134.51 126.53 29.55 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 120.409 -1.432 . . . . 0.0 111.988 -178.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.596 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.9 OUTLIER -50.81 -39.78 57.14 Favored Pre-proline 0 C--N 1.323 -0.558 0 O-C-N 121.665 -0.647 . . . . 0.0 112.568 -173.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.854 ' HG3' ' HB3' ' A' ' 9' ' ' GLN . 24.5 Cg_exo -63.96 -141.97 0.01 OUTLIER 'Trans proline' 0 N--CA 1.535 3.943 1 C-N-CA 126.283 4.655 . . . . 0.0 112.616 -177.177 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.271 2.202 0 CA-C-N 121.123 1.783 . . . . 0.0 111.465 -170.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 ptp . . . . . 0 CA--C 1.511 -0.53 0 CA-C-O 121.846 0.831 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -146.3 86.28 1.69 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.714 0.769 . . . . 0.0 111.047 173.593 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 73.92 79.68 0.12 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.848 0.833 . . . . 0.0 110.999 172.568 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -166.68 -46.0 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.68 0.753 . . . . 0.0 110.935 -177.913 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 74.19 157.24 0.19 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.489 0.662 . . . . 0.0 110.998 173.58 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -128.3 27.32 5.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.375 0.607 . . . . 0.0 111.77 177.63 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.492 HG22 ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER 168.08 106.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.257 1.495 0 O-C-N 121.953 -0.467 . . . . 0.0 110.372 -174.526 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.416 ' HB3' ' H ' ' A' ' 9' ' ' GLN . 26.7 mm-40 -139.78 -151.31 0.36 Allowed 'General case' 0 C--N 1.315 -0.924 0 O-C-N 120.06 -1.65 . . . . 0.0 109.474 170.608 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.817 ' O ' ' HE2' ' A' ' 23' ' ' LYS . 1.5 tt0 -86.88 176.09 7.86 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.276 0.56 . . . . 0.0 111.341 -171.792 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 9' ' ' GLN . . . 172.5 143.17 0.03 OUTLIER 'General case' 0 C--O 1.253 1.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.419 170.396 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.727 ' HA ' ' HB3' ' A' ' 40' ' ' TYR . 31.8 p -78.01 177.11 8.55 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 120.694 -1.254 . . . . 0.0 111.249 -174.117 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -58.95 -39.31 81.28 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.577 0.703 . . . . 0.0 111.056 177.827 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.498 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.0 OUTLIER -65.8 -36.86 78.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -173.828 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.617 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 10.9 m -79.57 -35.71 39.35 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.36 1.076 . . . . 0.0 110.565 -174.324 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.977 ' CG ' HD23 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -52.17 -61.8 2.04 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 122.706 1.241 . . . . 0.0 111.313 170.497 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.977 HD23 ' CG ' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -62.14 -54.23 44.04 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.914 1.34 . . . . 0.0 110.338 -169.521 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.954 ' HB3' HD21 ' A' ' 19' ' ' LEU . 5.4 mmmt -77.9 -19.5 54.61 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.803 -172.128 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt 60.5 75.05 0.42 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 123.201 1.477 . . . . 0.0 109.487 -171.028 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.954 HD21 ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -131.61 -178.13 4.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.365 179.835 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -88.66 147.32 24.59 Favored 'General case' 0 C--O 1.243 0.726 0 O-C-N 121.649 -0.657 . . . . 0.0 111.372 -178.006 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.617 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 43.4 t -145.11 87.11 1.8 Allowed 'General case' 0 C--O 1.243 0.734 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -171.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.554 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 39.8 p -67.59 5.19 0.86 Allowed 'General case' 0 C--O 1.253 1.288 0 N-CA-C 116.491 2.034 . . . . 0.0 116.491 171.776 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.817 ' HE2' ' O ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER 73.0 -8.17 1.34 Allowed 'General case' 0 C--O 1.257 1.457 0 N-CA-C 116.955 2.206 . . . . 0.0 116.955 169.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.98 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 3.0 pt-20 -41.4 153.41 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 123.378 1.561 . . . . 0.0 111.017 172.376 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.821 ' HG2' ' OH ' ' A' ' 40' ' ' TYR . 4.4 mttt -133.22 151.58 77.94 Favored Pre-proline 0 C--O 1.244 0.786 0 CA-C-N 114.661 -1.154 . . . . 0.0 112.151 -168.727 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.718 ' HG2' ' HE2' ' A' ' 27' ' ' LYS . 87.8 Cg_endo -64.6 -42.0 0.63 Allowed 'Cis proline' 0 N--CA 1.53 3.621 0 N-CA-C 115.144 1.171 . . . . 0.0 115.144 -3.426 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.718 ' HE2' ' HG2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -102.92 140.84 36.68 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.213 -0.929 . . . . 0.0 110.562 175.496 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.98 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.8 p -55.78 -175.43 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 122.639 1.209 . . . . 0.0 110.598 172.334 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.719 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -60.83 -40.21 91.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 123.168 1.461 . . . . 0.0 109.894 170.874 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.496 ' HG3' ' HZ3' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -46.49 -72.93 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 114.644 1.349 . . . . 0.0 114.644 175.224 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.478 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 61.3 m -60.42 -40.26 90.36 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.806 -171.631 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 tt -56.6 -40.1 74.7 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.146 0.974 . . . . 0.0 109.571 179.313 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.719 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 25.9 mttp -71.27 -27.48 63.47 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.994 -174.395 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.408 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 29.9 m-80 -123.99 29.08 6.58 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -176.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 43.18 60.78 2.41 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 125.091 2.377 . . . . 0.0 113.414 171.338 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.498 ' CE3' HG21 ' A' ' 13' ' ' ILE . 25.6 m0 -114.75 172.0 7.3 Favored 'General case' 0 C--O 1.242 0.699 0 O-C-N 120.016 -1.677 . . . . 0.0 110.432 -169.856 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -105.95 62.17 0.66 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.593 0.711 . . . . 0.0 110.787 -174.669 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 9.4 t -43.61 97.56 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.31 1.052 . . . . 0.0 112.074 174.35 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -122.24 93.62 4.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.789 171.901 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.821 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -97.58 118.78 34.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 122.582 1.182 . . . . 0.0 110.185 172.146 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.414 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 1.3 m -88.12 107.85 18.43 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -169.179 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 41' ' ' SER . 39.6 Cg_endo -61.31 -80.75 0.01 OUTLIER 'Trans proline' 0 N--CA 1.529 3.583 1 C-N-CA 126.191 4.594 . . . . 0.0 114.621 176.49 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.27 2.18 0 CA-C-O 121.831 0.824 . . . . 0.0 111.228 -172.579 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.431 ' O ' ' C ' ' A' ' 2' ' ' LYS . 12.3 mmt . . . . . 0 C--O 1.237 0.414 0 CA-C-O 120.935 0.398 . . . . 0.0 111.784 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 1' ' ' MET . 25.6 mtpt -0.09 -71.26 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 126.34 1.856 . . . . 0.0 114.543 171.148 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.406 ' HG ' ' H ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -37.43 -55.98 1.02 Allowed 'General case' 0 C--O 1.244 0.784 0 CA-C-O 121.636 0.731 . . . . 0.0 112.406 -171.6 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tp -72.76 -45.79 56.8 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.407 -0.808 . . . . 0.0 111.044 176.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.76 -155.53 0.02 OUTLIER 'General case' 0 C--O 1.243 0.732 0 CA-C-O 121.096 0.474 . . . . 0.0 110.628 174.852 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.05 -172.55 0.14 Allowed 'General case' 0 C--N 1.319 -0.735 0 O-C-N 121.612 -0.68 . . . . 0.0 111.328 -177.047 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -174.97 -22.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 173.24 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.51 43.86 1.26 Allowed 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 122.934 1.35 . . . . 0.0 111.964 173.343 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.703 ' HG2' ' HG2' ' A' ' 23' ' ' LYS . 1.4 tt0 -89.32 136.08 33.22 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.111 168.831 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 9' ' ' GLN . . . 177.36 145.75 0.11 Allowed 'General case' 0 C--O 1.249 1.044 0 O-C-N 122.149 -0.344 . . . . 0.0 110.304 -176.109 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.798 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 30.9 p -77.2 175.04 10.05 Favored 'General case' 0 C--N 1.317 -0.829 0 O-C-N 120.953 -1.092 . . . . 0.0 111.292 -171.394 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -42.4 97.57 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.599 0.714 . . . . 0.0 110.758 177.405 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.503 HG21 ' CE3' ' A' ' 36' ' ' TRP . 1.3 mm -60.16 -34.23 56.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -173.134 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.421 ' HA ' HD22 ' A' ' 19' ' ' LEU . 99.1 m -78.85 -30.25 45.04 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 122.545 1.164 . . . . 0.0 110.485 -178.347 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.851 ' HG2' HD22 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -53.31 -59.45 4.55 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-O 122.326 1.06 . . . . 0.0 111.722 170.322 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.851 HD22 ' HG2' ' A' ' 15' ' ' ARG . 2.6 mm? -67.66 -51.99 43.29 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 120.612 -1.305 . . . . 0.0 110.903 -170.561 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.494 ' HE3' ' CZ2' ' A' ' 36' ' ' TRP . 10.3 mttt -70.12 -17.87 63.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.315 -177.903 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt 67.4 45.61 1.56 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 123.204 1.478 . . . . 0.0 113.312 179.873 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.679 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -98.67 -174.61 2.84 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.647 1.213 . . . . 0.0 109.96 170.354 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.516 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.1 OUTLIER -87.86 -151.96 0.2 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.039 170.303 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.739 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 6.2 t -174.31 89.92 0.06 Allowed 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 121.693 0.758 . . . . 0.0 113.029 170.674 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.431 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.6 p -43.5 -34.97 1.49 Allowed 'General case' 0 C--O 1.245 0.822 0 O-C-N 121.246 -0.909 . . . . 0.0 113.245 168.617 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.739 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 9.1 mttt 88.54 12.02 0.09 Allowed 'General case' 0 C--O 1.256 1.446 0 C-N-CA 124.574 1.15 . . . . 0.0 113.459 170.91 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.865 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 1.5 pt-20 -46.71 150.61 0.68 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 119.639 1.108 . . . . 0.0 109.86 167.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.874 ' HG2' ' OH ' ' A' ' 40' ' ' TYR . 13.7 mttp -133.0 151.27 77.65 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-O 121.899 0.857 . . . . 0.0 112.48 -166.221 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.415 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 94.4 Cg_endo -65.82 -43.05 0.56 Allowed 'Cis proline' 0 N--CA 1.532 3.774 0 N-CA-C 115.698 1.384 . . . . 0.0 115.698 -3.478 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.66 ' HB3' ' HB2' ' A' ' 31' ' ' CYS . 11.8 mtmt -99.64 137.05 38.66 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 120.907 -1.121 . . . . 0.0 109.635 175.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.865 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -53.54 -179.64 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.887 1.327 . . . . 0.0 109.786 171.712 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -51.6 -46.26 63.49 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 123.02 1.39 . . . . 0.0 109.715 170.568 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.589 ' HG2' ' HZ3' ' A' ' 36' ' ' TRP . 2.4 tttp -67.84 -52.54 35.66 Favored 'General case' 0 C--O 1.262 1.726 0 N-CA-C 116.571 2.063 . . . . 0.0 116.571 -169.372 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.66 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 60.1 m -56.97 -41.12 77.78 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 120.385 -1.447 . . . . 0.0 108.986 177.913 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.562 ' O ' HD13 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -60.75 -36.06 77.96 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 122.147 0.975 . . . . 0.0 109.866 -178.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 9.5 mttp -73.8 -28.92 61.89 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.548 1.166 . . . . 0.0 111.814 -174.349 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.461 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 32.2 m-20 -111.72 4.33 18.43 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 123.676 0.79 . . . . 0.0 111.742 -175.902 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 51.16 83.5 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.204 1.002 . . . . 0.0 110.565 -173.064 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.589 ' HZ3' ' HG2' ' A' ' 30' ' ' LYS . 25.1 m0 -129.46 177.47 7.17 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.769 0.795 . . . . 0.0 110.566 -174.344 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.55 65.34 0.64 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.85 0.833 . . . . 0.0 111.264 -179.76 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.414 ' SG ' ' HA ' ' A' ' 27' ' ' LYS . 16.0 t -45.07 97.11 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.787 0.803 . . . . 0.0 111.151 171.684 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.4 86.1 2.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 122.288 1.042 . . . . 0.0 113.677 175.43 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.874 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -102.37 55.02 0.79 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 122.182 0.992 . . . . 0.0 108.867 168.715 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 p -46.57 124.18 7.51 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.13 -170.508 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -69.57 -30.85 22.47 Favored 'Trans proline' 0 N--CA 1.533 3.804 1 C-N-CA 125.812 4.341 . . . . 0.0 114.744 176.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt . . . . . 0 C--O 1.269 2.115 0 CA-C-O 122.048 0.927 . . . . 0.0 110.953 -172.619 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 mtm . . . . . 0 C--O 1.241 0.606 0 CA-C-O 121.513 0.673 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.3 mmmt -75.78 -33.12 60.16 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.639 0.733 . . . . 0.0 110.849 172.254 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.477 ' C ' HD23 ' A' ' 4' ' ' LEU . 4.4 mp -87.73 -175.16 5.06 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.752 0.787 . . . . 0.0 111.131 -177.914 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.602 HD23 ' N ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -124.66 103.82 8.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.788 0.804 . . . . 0.0 111.208 -179.03 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -137.27 140.4 41.59 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.865 0.841 . . . . 0.0 110.966 -177.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.59 96.0 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.686 0.755 . . . . 0.0 111.028 175.129 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -145.49 24.58 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 123.243 1.497 . . . . 0.0 110.457 -173.486 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.46 85.57 7.39 Favored 'General case' 0 CA--C 1.513 -0.451 0 O-C-N 120.809 -1.182 . . . . 0.0 110.533 -171.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.593 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -68.85 -156.8 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.233 1.016 . . . . 0.0 112.863 -171.84 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 9' ' ' GLN . . . 99.23 123.4 0.01 OUTLIER 'General case' 0 C--O 1.259 1.557 0 C-N-CA 125.401 1.48 . . . . 0.0 109.03 172.216 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.52 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 20.3 p -77.66 174.55 10.81 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 120.931 1.696 . . . . 0.0 111.797 -169.875 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.762 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 0.9 OUTLIER -61.94 -30.8 71.15 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.354 -0.841 . . . . 0.0 112.179 177.868 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.615 HG22 HD11 ' A' ' 19' ' ' LEU . 8.5 mm -76.1 -30.9 20.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -172.139 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.632 ' SG ' HD12 ' A' ' 19' ' ' LEU . 2.6 m -80.02 -39.29 30.24 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 121.422 -0.799 . . . . 0.0 110.578 -178.229 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.762 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 2.0 ptm180 -54.11 -59.08 5.13 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-O 122.515 1.15 . . . . 0.0 111.45 170.481 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.499 ' HG ' ' N ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -63.0 -52.43 63.01 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 120.279 -1.513 . . . . 0.0 109.998 -169.268 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.766 ' CB ' HD21 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -78.9 -20.44 49.4 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.079 -172.348 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt 61.04 75.36 0.41 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 123.445 1.593 . . . . 0.0 109.482 -170.295 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.065 HD13 ' HG2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -130.28 -176.91 4.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.66 -1.154 . . . . 0.0 110.307 177.543 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.522 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 1.2 ptmt -88.57 141.69 28.32 Favored 'General case' 0 C--O 1.244 0.795 0 O-C-N 121.766 -0.584 . . . . 0.0 111.21 178.509 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.518 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 7.0 t -134.78 65.87 1.55 Allowed 'General case' 0 C--O 1.242 0.674 0 CA-C-O 122.124 0.964 . . . . 0.0 112.78 -173.842 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.641 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -44.51 -12.18 0.01 OUTLIER 'General case' 0 C--O 1.253 1.266 0 O-C-N 121.087 -1.008 . . . . 0.0 113.254 168.079 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.641 ' HB2' ' O ' ' A' ' 22' ' ' SER . 20.1 mttt 84.34 -6.43 1.03 Allowed 'General case' 0 C--O 1.253 1.248 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 165.904 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 1.023 ' HG2' ' HA ' ' A' ' 28' ' ' CYS . 2.0 pm0 -42.23 158.22 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 123.386 1.565 . . . . 0.0 113.215 177.388 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HA ' ' C ' ' A' ' 26' ' ' PRO . 0.8 OUTLIER -134.93 156.14 78.68 Favored Pre-proline 0 C--O 1.246 0.91 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.704 -171.126 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.434 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 80.4 Cg_endo -63.04 -40.34 0.7 Allowed 'Cis proline' 0 N--CA 1.53 3.627 0 N-CA-C 115.379 1.261 . . . . 0.0 115.379 -2.62 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.904 ' HE3' ' CB ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -107.3 142.46 37.04 Favored 'General case' 0 C--O 1.251 1.152 0 O-C-N 121.291 -0.88 . . . . 0.0 110.093 173.313 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 1.023 ' HA ' ' HG2' ' A' ' 24' ' ' GLU . 1.7 p -54.02 -174.56 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.906 1.336 . . . . 0.0 110.355 170.507 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.85 -42.39 89.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 123.244 1.497 . . . . 0.0 109.657 170.281 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 1.065 ' HG2' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -46.05 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 176.093 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.863 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 58.2 m -60.75 -39.66 89.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.613 -170.737 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.84 -37.37 79.07 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 122.249 1.024 . . . . 0.0 109.914 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -71.59 -27.99 63.52 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.134 0.968 . . . . 0.0 111.3 -174.908 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.501 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 41.0 m-80 -115.63 5.49 14.33 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.68 -175.135 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 49.82 82.61 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 122.159 0.981 . . . . 0.0 110.699 -171.281 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.837 ' CZ3' ' HE2' ' A' ' 30' ' ' LYS . 31.7 m0 -127.26 172.66 10.4 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.849 0.833 . . . . 0.0 110.211 -176.809 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -103.35 60.23 0.76 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.857 0.837 . . . . 0.0 110.566 -176.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.904 ' CB ' ' HE3' ' A' ' 27' ' ' LYS . 13.7 t -36.36 95.68 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 123.984 0.914 . . . . 0.0 112.582 172.345 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.83 106.04 17.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 125.24 2.448 . . . . 0.0 112.38 179.688 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.601 ' O ' ' HB3' ' A' ' 41' ' ' SER . 14.8 m-85 -105.27 -15.53 15.02 Favored 'General case' 0 C--O 1.243 0.725 0 O-C-N 119.541 -1.974 . . . . 0.0 113.095 -171.558 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.601 ' HB3' ' O ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER 84.39 162.17 0.11 Allowed Pre-proline 0 C--N 1.317 -0.83 0 C-N-CA 123.695 0.798 . . . . 0.0 109.975 -170.577 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.446 ' HB2' ' H ' ' A' ' 43' ' ' LYS . 76.3 Cg_exo -54.66 -98.53 0.0 OUTLIER 'Trans proline' 0 N--CA 1.53 3.668 1 C-N-CA 126.099 4.533 . . . . 0.0 115.119 -176.378 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.446 ' H ' ' HB2' ' A' ' 42' ' ' PRO . 27.7 mttp . . . . . 0 C--O 1.27 2.136 0 O-C-N 120.998 -1.064 . . . . 0.0 110.897 -170.279 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.8 mtp . . . . . 0 CA--C 1.51 -0.579 0 CA-C-O 121.696 0.76 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -108.77 -37.88 5.77 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.866 0.841 . . . . 0.0 110.853 177.827 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.06 106.26 4.24 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.61 0.719 . . . . 0.0 111.063 179.852 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.36 130.34 7.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.586 0.708 . . . . 0.0 110.914 174.602 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m 67.02 149.47 0.05 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.655 0.74 . . . . 0.0 110.927 -173.107 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.06 97.48 0.44 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.653 0.74 . . . . 0.0 110.826 -173.098 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 173.22 84.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.247 0.934 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.091 -179.63 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -108.81 95.99 6.02 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.656 1.217 . . . . 0.0 110.6 171.692 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.874 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 2.4 tt0 -48.69 147.27 2.66 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.805 -179.102 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 9' ' ' GLN . . . 176.71 143.72 0.08 Allowed 'General case' 0 C--O 1.252 1.229 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.216 171.611 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.9 p -69.21 175.47 3.86 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 122.512 1.149 . . . . 0.0 111.366 -170.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.908 ' HA ' ' HD3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -70.5 -35.9 73.48 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 121.4 -0.812 . . . . 0.0 112.568 -175.548 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.689 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 2.3 mm -72.68 -28.35 27.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.559 0.695 . . . . 0.0 112.175 -172.103 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.3 m -78.47 -35.03 47.17 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.811 0.815 . . . . 0.0 110.567 178.059 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 1.031 ' HG3' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -53.4 -62.0 1.94 Allowed 'General case' 0 C--O 1.245 0.85 0 CA-C-O 122.423 1.106 . . . . 0.0 111.487 172.07 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.031 HD13 ' HG3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -70.14 -42.65 72.27 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.974 1.369 . . . . 0.0 110.326 -169.168 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.689 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 1.4 tptt -76.11 -22.35 55.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.991 -175.048 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.6 mttm 60.12 72.83 0.51 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 124.859 2.266 . . . . 0.0 109.626 -171.696 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.67 HD13 ' HB3' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -127.38 174.53 8.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 113.576 -1.647 . . . . 0.0 110.217 -173.128 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.93 143.84 26.59 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.323 170.43 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 t -127.73 76.93 1.72 Allowed 'General case' 0 C--O 1.243 0.744 0 CA-C-O 121.588 0.709 . . . . 0.0 112.461 -172.675 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.602 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 2.9 p -44.23 -13.72 0.02 OUTLIER 'General case' 0 C--O 1.245 0.844 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 167.099 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.874 ' NZ ' ' HB3' ' A' ' 9' ' ' GLN . 7.3 mttt 91.02 -46.23 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 125.079 1.352 . . . . 0.0 113.311 169.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.838 ' HG3' ' HA ' ' A' ' 28' ' ' CYS . 3.3 pt-20 -21.14 144.01 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 126.321 2.962 . . . . 0.0 115.885 -165.122 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.52 ' HG2' ' OH ' ' A' ' 40' ' ' TYR . 8.5 mttt -117.73 148.73 43.75 Favored Pre-proline 0 CA--C 1.51 -0.584 0 O-C-N 119.802 -1.811 . . . . 0.0 112.66 -165.656 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.424 ' C ' ' HA ' ' A' ' 25' ' ' LYS . 97.7 Cg_endo -65.6 -41.75 0.71 Allowed 'Cis proline' 0 N--CA 1.534 3.872 0 N-CA-C 115.876 1.452 . . . . 0.0 115.876 -3.372 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.485 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -106.7 139.69 40.73 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 121.198 -0.939 . . . . 0.0 110.21 177.215 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.838 ' HA ' ' HG3' ' A' ' 24' ' ' GLU . 1.6 p -55.23 179.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 122.505 1.145 . . . . 0.0 110.608 176.16 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.77 ' O ' ' HG3' ' A' ' 33' ' ' LYS . . . -56.05 -40.69 73.91 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 123.52 1.629 . . . . 0.0 109.408 170.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.622 ' HE2' ' CD2' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -50.68 -70.42 0.09 Allowed 'General case' 0 C--O 1.239 0.531 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 177.898 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.453 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 57.3 m -58.28 -40.65 82.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.465 0.65 . . . . 0.0 110.483 -173.018 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.689 HD22 ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -58.33 -38.29 76.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 122.243 1.02 . . . . 0.0 110.517 179.423 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.77 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 16.0 mtmt -71.64 -28.94 64.11 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.117 0.961 . . . . 0.0 111.205 -174.673 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.493 ' HB3' ' CE2' ' A' ' 36' ' ' TRP . 36.2 m-80 -112.61 4.09 17.06 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.485 -174.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 51.74 82.35 0.07 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.194 0.997 . . . . 0.0 110.4 -171.885 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.663 ' CE3' HG21 ' A' ' 13' ' ' ILE . 24.9 m0 -129.05 175.15 8.91 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.775 0.798 . . . . 0.0 110.721 -175.053 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -104.3 76.77 1.35 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.953 0.882 . . . . 0.0 110.499 177.221 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.485 ' HB2' ' HB3' ' A' ' 27' ' ' LYS . 17.6 t -52.79 95.27 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.209 1.004 . . . . 0.0 110.823 171.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.583 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 1.5 ttm-85 -96.9 104.21 16.2 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 124.18 1.943 . . . . 0.0 112.121 177.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.52 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 21.7 m-85 -96.23 -25.8 15.67 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 120.56 -1.337 . . . . 0.0 110.817 173.104 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.888 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -167.22 -171.06 0.23 Allowed Pre-proline 0 C--N 1.321 -0.658 0 O-C-N 121.497 -0.752 . . . . 0.0 110.798 -171.408 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.888 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 9.8 Cg_endo -46.22 -45.21 18.75 Favored 'Trans proline' 0 N--CA 1.532 3.741 1 C-N-CA 126.489 4.793 . . . . 0.0 114.433 177.612 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.272 2.251 0 CA-C-O 121.813 0.816 . . . . 0.0 111.223 171.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_