data_2ksu_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 2ksu _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.6 p -58.06 123.71 66.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 1.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -71.59 124.92 10.7 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.255 3.303 . . . . 1.0 109.615 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -77.15 -1.26 28.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 1.0 109.31 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.89 148.05 36.64 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -79.02 142.84 17.56 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.371 3.38 . . . . 1.0 109.563 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -108.11 133.47 52.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 1.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -71.78 139.08 48.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 1.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 13' ' ' GLY . 25.2 t -119.15 69.67 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 1.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -53.09 89.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 1.0 109.361 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 11' ' ' VAL . . . -66.06 -124.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.458 1.099 . . . . 1.0 110.95 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.08 -63.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 0.777 . . . . 1.0 109.994 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -127.91 -58.98 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 1.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.55 146.47 54.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 1.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.3 m -102.5 134.29 46.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 1.0 110.394 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.1 128.98 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 1.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.7 ptt? -110.09 131.54 54.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 1.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.456 ' CE1' ' ND1' ' A' ' 25' ' ' HIS . 19.5 t80 -107.95 125.44 32.1 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 1.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.506 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 31.9 Cg_endo -88.85 139.38 3.81 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.276 3.317 . . . . 1.0 109.593 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.435 ' O ' ' N ' ' A' ' 25' ' ' HIS . 6.9 m80 -87.65 -33.45 18.8 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.118 0.886 . . . . 1.0 109.752 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.682 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -47.89 -54.92 20.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.682 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 26.5 Cg_exo -65.15 -5.19 10.52 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.35 3.367 . . . . 1.0 109.594 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.456 ' ND1' ' CE1' ' A' ' 20' ' ' PHE . 69.3 m80 -134.21 40.97 3.0 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.145 0.903 . . . . 1.0 109.749 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.78 9.75 38.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 1.0 110.293 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.08 -4.13 9.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 1.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.1 t -103.2 124.48 57.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 1.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.18 136.01 7.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 1.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' CYS . 5.2 m -51.21 -59.74 3.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 1.0 108.337 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 32' ' ' THR . 3.6 p -38.66 -49.6 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' VAL . 3.3 m -37.77 -42.68 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 1.0 110.366 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' CYS . 1.3 m -101.78 -54.56 2.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 1.0 108.275 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.2 m-70 -82.52 69.93 9.38 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.758 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -47.5 160.8 0.1 Allowed 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.166 0.916 . . . . 1.0 109.78 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.65 155.56 24.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 1.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.9 t -124.33 112.47 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 1.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 t0 54.15 40.18 31.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 1.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.16 32.54 63.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 1.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -130.98 102.82 6.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.773 . . . . 1.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -43.86 128.74 5.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 1.0 110.311 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.473 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 41.3 t -148.48 156.61 42.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 1.0 110.007 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 42' ' ' SER . 25.9 m-85 -143.43 54.47 1.34 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.038 -0.983 . . . . 1.0 109.843 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.11 147.14 23.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 1.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.26 147.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 1.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.74 -33.62 4.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 1.0 108.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.07 63.09 0.29 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 1.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.0 t -97.94 167.65 10.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 1.0 109.975 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.402 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 46.0 t -42.26 126.67 3.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 1.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 55.45 52.53 47.2 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 1.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 49' ' ' SER . 15.9 m -141.91 -144.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.281 -1.007 . . . . 1.0 108.281 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -97.23 81.81 3.08 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.966 -1.015 . . . . 1.0 109.746 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -134.54 51.27 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 1.0 109.263 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.81 100.55 1.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 1.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.34 21.39 12.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 1.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.422 ' O ' ' CG2' ' A' ' 56' ' ' THR . 0.9 OUTLIER -101.44 -1.92 32.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 110.364 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -91.91 -49.1 6.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 1.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 90.05 -38.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 1.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.45 121.74 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 1.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 147.72 156.72 7.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.529 1.143 . . . . 1.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.36 -17.5 12.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 1.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.64 33.02 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 1.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -130.84 140.2 50.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 1.0 110.001 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.4 tp -103.63 39.76 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 1.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -131.39 -34.15 1.42 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.959 -1.018 . . . . 1.0 109.816 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -86.91 -3.88 59.12 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 118.937 -0.554 . . . . 1.0 109.841 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.1 m -117.5 2.86 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 1.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.419 HG11 ' CE1' ' A' ' 69' ' ' HIS . 2.5 t -102.09 -46.69 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 1.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.687 ' O ' ' C ' ' A' ' 70' ' ' ALA . 38.0 m80 -95.55 -80.08 0.43 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.719 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.687 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 11.74 91.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.403 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -92.15 20.52 5.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 1.0 110.351 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.0 -163.65 29.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.444 1.09 . . . . 1.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -84.13 98.33 9.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.753 . . . . 1.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.47 ' CD1' ' CB ' ' A' ' 70' ' ' ALA . 52.3 mt -105.36 172.85 6.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 1.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.49 -51.01 58.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -106.76 -139.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 1.0 109.601 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.0 m -127.0 104.27 7.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 1.0 110.371 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -65.72 166.44 10.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 1.0 110.018 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 81' ' ' ALA . 11.5 m -61.59 -66.47 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.0 108.312 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.3 mm? -48.67 -21.72 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 1.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -65.82 -70.38 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 1.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 85' ' ' LYS . 53.9 t -49.72 -61.3 2.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 1.0 108.282 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.414 ' ND1' ' HB3' ' A' ' 97' ' ' LEU . 13.1 m170 -39.1 -30.46 0.05 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.759 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 3.3 t -60.53 -49.01 79.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 1.0 109.994 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 82' ' ' CYS . 0.1 OUTLIER -67.55 -35.82 79.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 1.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 69.9 t -57.72 -48.2 84.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 1.0 109.333 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.93 -19.71 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 1.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 1.0 109.342 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.313 -0.625 . . . . 1.0 109.313 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.414 ' HB3' ' ND1' ' A' ' 83' ' ' HIS . 13.0 mt -110.92 -25.6 9.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.183 . . . . 1.0 109.248 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 p -128.55 57.41 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 1.0 110.396 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -123.03 128.71 7.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.552 1.158 . . . . 1.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 106' ' ' HIS . 80.2 m -70.29 -29.86 66.71 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.316 -0.994 . . . . 1.0 108.316 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.72 172.7 12.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 1.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.02 49.0 9.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 1.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.58 -171.69 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.0 110.039 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -87.26 1.57 52.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 1.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -114.06 -50.6 2.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 1.0 108.284 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.402 ' CB ' ' O ' ' A' ' 100' ' ' CYS . 89.7 m-70 -118.71 83.33 22.02 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-N 114.981 -1.009 . . . . 1.0 109.752 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo . . . . . 0 N--CA 1.447 -1.226 0 C-N-CA 124.292 3.328 . . . . 1.0 109.619 179.871 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.13 123.05 84.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 1.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -72.07 129.81 15.69 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.313 3.342 . . . . 1.0 109.623 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -84.44 7.57 19.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 1.0 109.284 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.34 148.77 41.55 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 1.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -78.4 135.43 13.32 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.32 3.347 . . . . 1.0 109.65 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.3 m -107.72 131.52 57.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 1.0 109.257 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -71.46 143.2 50.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 1.0 110.335 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.4 t -121.18 68.31 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 1.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -40.41 129.4 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 1.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -118.89 -154.66 9.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 1.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.45 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -55.71 -71.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.78 . . . . 1.0 109.984 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.408 ' N ' ' OG ' ' A' ' 14' ' ' SER . 5.9 tt0 -141.93 43.4 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 1.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.88 127.08 2.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 1.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.7 m -89.91 130.8 36.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 1.0 110.407 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.6 t -133.34 126.43 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 1.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -105.64 133.67 50.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 1.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.42 ' CE1' ' ND1' ' A' ' 25' ' ' HIS . 19.1 t80 -111.03 124.88 31.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 1.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.506 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 33.5 Cg_endo -87.61 138.48 4.51 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.301 3.334 . . . . 1.0 109.6 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.437 ' O ' ' N ' ' A' ' 25' ' ' HIS . 7.1 m80 -87.5 -33.43 18.99 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 124.129 0.893 . . . . 1.0 109.726 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.683 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -47.81 -54.95 19.55 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 1.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.683 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 26.5 Cg_exo -65.12 -5.46 11.04 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.27 3.313 . . . . 1.0 109.647 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 22' ' ' HIS . 70.7 m80 -134.0 39.29 3.14 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 124.183 0.927 . . . . 1.0 109.783 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.75 6.36 45.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.0 110.297 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.41 -20.56 10.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 1.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.32 128.06 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 109.281 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.03 137.05 17.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 1.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.7 m -49.45 -61.43 2.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 1.0 108.336 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' CYS . 3.5 p -40.71 -50.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 1.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.5 m -38.05 -30.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 1.0 110.427 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -112.88 -53.53 2.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 108.321 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -83.53 74.13 10.14 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.958 -1.019 . . . . 1.0 109.767 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 76' ' ' HIS . 2.8 p80 -50.63 161.28 0.35 Allowed 'General case' 0 CA--C 1.54 0.585 0 O-C-N 124.139 0.899 . . . . 1.0 109.753 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.407 ' N ' ' CD2' ' A' ' 36' ' ' LEU . 2.0 mt -84.78 156.33 21.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 1.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.6 t -123.77 112.93 34.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.584 1.178 . . . . 1.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t0 55.51 41.33 30.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 1.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.0 37.89 59.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.109 . . . . 1.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.76 124.64 24.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 1.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.35 127.68 7.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.605 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 45.6 t -139.89 150.96 45.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 42' ' ' SER . 60.0 m-85 -157.12 48.17 0.43 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.017 -0.992 . . . . 1.0 109.809 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.436 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -98.14 148.08 23.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 1.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -41.88 152.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 1.0 109.295 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -50.13 -38.26 38.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 1.0 108.332 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.64 61.29 0.36 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.488 1.118 . . . . 1.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.436 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 28.0 t -95.91 168.38 10.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 0.801 . . . . 1.0 110.01 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.1 m -52.08 132.47 32.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 1.0 110.024 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.68 43.28 94.49 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.111 . . . . 1.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 13.3 m -139.99 -145.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.3 -1.0 . . . . 1.0 108.3 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -90.92 72.27 6.5 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.749 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -122.04 46.13 2.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 1.0 109.266 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.17 94.65 2.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 1.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' A' ' 14' ' ' SER . 0.6 OUTLIER -94.35 18.39 11.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.08 -11.83 57.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 1.0 110.413 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.04 174.15 5.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 1.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.467 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -113.91 -11.7 12.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 1.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -172.6 135.94 0.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 1.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 154.27 158.31 8.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.133 . . . . 1.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.71 -14.7 15.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 1.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -112.15 43.11 1.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 1.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 t -135.29 141.62 45.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 1.0 110.017 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 39.0 tp -102.33 38.21 1.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 1.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.467 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 5.7 t80 -131.02 -36.49 1.33 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.036 -0.984 . . . . 1.0 109.818 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -87.76 -1.94 58.29 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 118.934 -0.555 . . . . 1.0 109.864 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.3 m -118.59 3.39 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 1.0 109.34 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -102.3 -46.47 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 1.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.672 ' O ' ' C ' ' A' ' 70' ' ' ALA . 23.3 m80 -97.69 -80.43 0.45 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.745 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.672 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 15.01 90.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.89 20.7 7.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 1.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.7 -153.74 28.52 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.556 1.16 . . . . 1.0 111.007 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.68 99.34 12.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 1.0 110.263 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.547 ' CD1' ' CB ' ' A' ' 70' ' ' ALA . 44.1 mt -107.57 176.48 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -46.35 77.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 1.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -114.83 -152.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 109.608 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.5 m -112.25 102.87 11.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 1.0 110.366 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.97 167.53 7.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 1.0 109.963 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 18.8 m -60.76 -67.44 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 1.0 108.281 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -49.02 -22.32 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 1.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.463 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -64.26 -70.34 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 1.0 109.309 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.422 ' O ' ' N ' ' A' ' 85' ' ' LYS . 49.6 t -50.13 -59.58 3.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 1.0 108.302 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -40.44 -28.22 0.06 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.99 -1.004 . . . . 1.0 109.762 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 4.4 t -60.18 -46.32 90.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 1.0 109.988 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 82' ' ' CYS . 0.1 OUTLIER -71.36 -38.59 71.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 1.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.486 ' CG1' ' CD1' ' A' ' 97' ' ' LEU . 71.5 t -54.54 -37.36 38.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 1.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.0 t -54.9 -29.23 21.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 1.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 1.0 109.325 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.533 ' HD2' ' NZ ' ' A' ' 104' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.486 ' CD1' ' CG1' ' A' ' 86' ' ' VAL . 6.2 mt -107.96 -28.8 9.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.3 p -126.03 57.18 1.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 1.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -115.75 126.93 7.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 1.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 82.3 m -72.55 -31.39 65.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.275 -1.009 . . . . 1.0 108.275 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.92 172.16 13.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 1.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 106' ' ' HIS . 0.1 OUTLIER 41.87 46.52 3.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 1.0 109.332 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.7 t -128.12 -167.56 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.533 ' NZ ' ' HD2' ' A' ' 96' ' ' ASP . 0.0 OUTLIER -87.83 0.6 55.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 1.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -116.14 -50.07 2.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 1.0 108.312 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 102' ' ' LYS . 89.6 m-70 -118.07 83.22 19.01 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-N 114.943 -1.026 . . . . 1.0 109.76 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 106' ' ' HIS . 39.1 Cg_exo . . . . . 0 N--CA 1.446 -1.28 0 C-N-CA 124.355 3.37 . . . . 1.0 109.61 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.279 -0.637 . . . . 1.0 109.279 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.94 122.12 81.06 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 1.0 109.274 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -76.44 124.02 7.45 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.305 3.337 . . . . 1.0 109.576 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -86.21 10.16 15.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.321 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.86 91.33 25.76 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 1.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.432 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 12.1 Cg_exo -40.64 140.05 1.12 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.29 3.327 . . . . 1.0 109.631 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.08 148.56 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 1.0 109.257 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -78.78 144.89 34.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 1.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.4 t -116.72 66.49 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 1.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp -39.79 133.73 1.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 1.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -125.3 -152.65 8.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 1.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.522 ' N ' ' CD2' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -61.0 -69.28 0.24 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 0.774 . . . . 1.0 110.029 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.449 ' N ' ' OG ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -147.31 47.45 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 1.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -167.63 99.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 1.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.6 m -70.9 133.62 46.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 1.0 110.411 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.6 t -137.86 127.09 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 1.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.0 ptp -102.51 140.03 37.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 1.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -115.46 124.45 30.04 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 1.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.517 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 30.8 Cg_endo -88.48 138.19 3.77 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.317 3.345 . . . . 1.0 109.571 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 25' ' ' HIS . 6.6 m80 -87.17 -33.17 19.47 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.152 0.907 . . . . 1.0 109.727 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.686 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -48.22 -54.98 20.6 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 1.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.686 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 29.1 Cg_exo -64.6 -5.97 11.26 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.329 3.353 . . . . 1.0 109.584 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 22' ' ' HIS . 70.0 m80 -134.17 39.7 3.08 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.151 0.907 . . . . 1.0 109.759 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.14 5.27 46.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 110.306 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -114.51 -20.22 10.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 1.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.4 t -86.1 123.4 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.07 138.72 4.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.091 . . . . 1.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 31' ' ' VAL . 5.3 m -53.02 -62.64 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 1.0 108.328 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 30' ' ' CYS . 2.6 p -37.06 -55.26 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' VAL . 8.0 m -34.52 -39.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 1.0 110.426 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.64 -53.25 2.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 1.0 108.27 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.1 m-70 -84.33 71.11 10.69 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.03 -0.987 . . . . 1.0 109.763 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.682 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 3.2 p80 -46.82 160.53 0.08 Allowed 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.169 0.918 . . . . 1.0 109.794 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.08 152.28 24.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 1.0 109.301 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.5 t -120.86 112.04 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 1.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.12 39.09 25.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 1.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 60.23 30.45 70.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.142 . . . . 1.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -128.71 100.22 5.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.75 . . . . 1.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -44.21 126.1 4.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 1.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.3 t -140.05 157.35 45.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 1.0 109.967 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -142.25 56.31 1.46 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.992 -1.004 . . . . 1.0 109.827 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.471 ' HB3' ' CB ' ' A' ' 48' ' ' SER . . . -98.82 142.22 30.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 1.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.77 152.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 1.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.36 -30.65 8.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 1.0 108.315 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -110.56 63.87 0.27 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.117 . . . . 1.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.471 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . 25.2 t -102.54 168.65 9.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 1.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 84.8 p -52.18 131.67 32.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 1.0 109.974 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 55.18 52.13 49.34 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 1.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.0 m -146.97 -143.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -91.87 79.42 5.3 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.961 -1.018 . . . . 1.0 109.774 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -132.3 51.47 2.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 1.0 109.29 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.57 94.61 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' A' ' 14' ' ' SER . 4.6 tp -91.82 15.72 12.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.8 m -71.83 -19.08 62.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 1.0 110.419 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.8 162.94 13.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.556 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 14.8 mttt -103.09 -3.92 25.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 1.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -172.95 131.33 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 1.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.42 158.15 8.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.125 . . . . 1.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.81 -30.03 60.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 0.777 . . . . 1.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.56 32.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 1.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -131.0 136.08 48.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 1.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.1 tp -97.78 36.74 1.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 1.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.556 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 3.5 t80 -129.19 -33.62 1.93 Allowed 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.832 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -87.25 -3.13 59.03 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 118.895 -0.574 . . . . 1.0 109.846 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.5 m -118.69 4.86 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 1.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 t -105.28 -44.39 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 1.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.674 ' O ' ' C ' ' A' ' 70' ' ' ALA . 36.5 m80 -98.23 -81.71 0.43 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.021 -0.99 . . . . 1.0 109.765 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.674 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 14.77 89.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 1.0 109.306 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.405 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -91.55 20.66 5.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 1.0 110.317 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.57 -160.31 27.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 1.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -86.41 101.12 12.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 1.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.533 ' CD1' ' CB ' ' A' ' 70' ' ' ALA . 50.6 mt -108.72 175.91 5.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 1.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -55.03 -50.84 68.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 1.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.682 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 4.5 m-70 -106.98 -140.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 109.576 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.3 m -125.67 104.52 8.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 1.0 110.357 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -66.69 166.68 12.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 1.0 109.992 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.406 ' C ' ' N ' ' A' ' 81' ' ' ALA . 10.3 m -61.71 -66.27 0.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 1.0 108.337 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.414 ' N ' HD22 ' A' ' 80' ' ' LEU . 1.0 OUTLIER -48.82 -22.44 0.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 1.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.463 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -64.8 -70.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 1.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 85' ' ' LYS . 52.8 t -50.27 -62.17 1.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 1.0 108.313 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -38.23 -29.21 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.742 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 4.6 p -59.81 -50.17 74.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 1.0 109.975 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 82' ' ' CYS . 6.8 tptt -66.91 -34.64 78.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 1.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.1 t -60.36 -50.0 82.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 1.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.53 ' CG2' ' CG2' ' A' ' 98' ' ' THR . 14.3 t -54.83 -19.58 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 1.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 1.0 109.258 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.5 t0 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.303 -0.629 . . . . 1.0 109.303 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.0 mt -101.74 -16.34 16.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 1.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.53 ' CG2' ' CG2' ' A' ' 87' ' ' VAL . 1.4 p -138.7 41.58 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 1.0 110.405 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.62 127.57 9.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.556 1.16 . . . . 1.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 72.6 m -69.03 -28.16 66.32 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.312 -0.996 . . . . 1.0 108.312 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -149.05 172.98 13.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 1.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 42.86 43.02 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 1.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.7 p -123.71 -153.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 1.0 110.062 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -108.31 16.39 23.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 1.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.59 -52.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 1.0 108.336 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -114.28 63.36 1.26 Allowed Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 115.032 -0.985 . . . . 1.0 109.747 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo . . . . . 0 N--CA 1.447 -1.241 0 C-N-CA 124.32 3.347 . . . . 1.0 109.605 179.866 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -44.31 110.51 1.02 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 1.0 109.307 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -50.54 130.93 31.31 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.295 3.33 . . . . 1.0 109.606 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -90.74 9.26 30.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 1.0 109.292 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.46 92.48 43.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 1.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.454 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 11.4 Cg_exo -40.42 154.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.3 3.334 . . . . 1.0 109.613 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.86 148.76 20.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 1.0 109.317 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -81.79 147.57 29.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 1.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 13' ' ' GLY . 26.0 t -121.33 72.52 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 1.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -57.84 88.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 1.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 11' ' ' VAL . . . -62.0 -149.6 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 1.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -57.82 10.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 1.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.61 46.51 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.45 129.4 2.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 1.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 95.5 m -92.96 118.67 31.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 1.0 110.435 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 11' ' ' VAL . 36.0 t -128.55 126.0 64.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 1.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.54 135.13 45.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 1.0 110.995 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.464 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 25.8 t80 -112.27 123.32 34.5 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.504 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 39.7 Cg_endo -87.25 137.11 4.24 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.289 3.326 . . . . 1.0 109.583 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.442 ' O ' ' N ' ' A' ' 25' ' ' HIS . 4.9 m80 -87.39 -32.87 19.34 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.146 0.904 . . . . 1.0 109.788 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.683 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -47.73 -55.03 18.8 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 1.0 109.338 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.683 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 25.8 Cg_exo -64.99 -5.59 11.1 Favored 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.318 3.345 . . . . 1.0 109.569 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.464 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 68.4 m80 -132.39 38.56 3.45 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 124.147 0.905 . . . . 1.0 109.775 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.86 8.7 41.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 1.0 110.258 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -121.43 -2.98 9.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 1.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.0 t -103.6 122.65 56.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 1.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' A' ' 32' ' ' THR . 2.6 mt-10 -43.19 129.02 4.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 1.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 34' ' ' HIS . 7.8 m -46.81 -57.42 4.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 108.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 32' ' ' THR . 3.7 p -42.14 -48.46 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.432 ' CB ' ' O ' ' A' ' 29' ' ' GLU . 1.6 m -37.86 -40.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 1.0 110.407 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -103.21 -54.79 2.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 1.0 108.299 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 30' ' ' CYS . 99.0 m-70 -82.53 72.47 9.6 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.992 -1.003 . . . . 1.0 109.777 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.457 ' HB2' ' CD2' ' A' ' 76' ' ' HIS . 6.5 p80 -47.82 159.9 0.15 Allowed 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.098 0.874 . . . . 1.0 109.752 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.36 146.92 27.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 1.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.4 t -117.74 112.45 38.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 1.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t0 54.06 40.77 31.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 1.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.67 38.7 73.16 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.136 . . . . 1.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -136.0 101.05 4.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 1.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -43.56 124.52 3.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 1.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.0 t -139.51 157.56 45.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 1.0 110.027 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -145.67 56.08 1.2 Allowed 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.053 -0.976 . . . . 1.0 109.869 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.2 142.82 27.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -43.39 146.19 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 1.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.81 -32.7 3.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 1.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.65 61.57 0.35 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 1.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.6 t -100.39 167.67 10.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 1.0 110.016 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.6 m -57.9 137.38 56.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 1.0 110.014 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 55.68 46.03 83.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 1.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.5 m -145.35 -143.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.341 -0.985 . . . . 1.0 108.341 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -90.47 81.65 5.95 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.738 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -136.07 47.58 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 1.0 109.34 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -152.92 95.04 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.1 mt -94.79 17.98 12.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 1.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.71 -7.16 25.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 1.0 110.404 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.541 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -85.81 -52.97 5.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 1.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 3.7 tmtm? 90.6 -37.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 1.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.2 129.4 19.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 1.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 142.3 178.53 18.41 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.532 1.145 . . . . 1.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.07 15.94 4.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.78 . . . . 1.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -128.8 35.49 4.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 1.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -133.57 148.56 51.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 1.0 110.007 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.2 tp -107.05 40.45 1.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 1.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -132.39 -35.44 1.16 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.819 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -86.85 -1.62 57.94 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.923 -0.561 . . . . 1.0 109.831 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.4 m -119.39 3.18 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 1.0 109.343 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -103.68 -44.76 9.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 1.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.678 ' O ' ' C ' ' A' ' 70' ' ' ALA . 33.8 m80 -97.47 -81.42 0.43 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.045 -0.979 . . . . 1.0 109.76 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.678 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 13.97 91.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 1.0 109.264 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.81 21.86 6.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 1.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -101.93 -160.96 26.6 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.129 . . . . 1.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.41 100.43 11.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 1.0 110.278 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.525 ' CD1' ' CB ' ' A' ' 70' ' ' ALA . 63.8 mt -108.17 175.7 5.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 1.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -51.2 69.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.457 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 15.6 m80 -105.95 -139.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 1.0 109.578 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.3 m -126.71 105.49 8.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 1.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -67.55 166.56 14.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 1.0 109.976 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.41 ' C ' ' N ' ' A' ' 81' ' ' ALA . 8.7 m -61.48 -66.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 1.0 108.276 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -48.8 -21.89 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 1.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -66.68 -72.13 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 53.8 t -47.83 -63.15 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 108.315 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.434 ' ND1' ' HB3' ' A' ' 97' ' ' LEU . 15.6 m170 -36.77 -45.24 0.53 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.998 -1.001 . . . . 1.0 109.752 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 t -43.12 -42.5 4.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 1.0 109.965 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -74.57 -45.34 46.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 1.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.595 ' CG1' ' CD1' ' A' ' 97' ' ' LEU . 94.1 t -52.69 -40.33 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 1.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 57.1 t -54.15 -23.18 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 1.0 109.318 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.0 t70 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.311 -0.625 . . . . 1.0 109.311 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.595 ' CD1' ' CG1' ' A' ' 86' ' ' VAL . 6.1 mt -111.54 -21.89 11.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 1.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.5 p -118.38 -139.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 110.385 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.86 131.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.142 . . . . 1.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 84.1 m -75.21 -30.5 60.62 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.314 -0.995 . . . . 1.0 108.314 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.74 164.36 25.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 1.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 52.75 59.63 4.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 1.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.0 p -142.61 -175.51 4.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 1.0 109.985 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -89.96 4.35 50.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 1.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -113.34 -49.25 2.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 1.0 108.282 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -121.09 83.12 37.87 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 114.951 -1.022 . . . . 1.0 109.755 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo . . . . . 0 N--CA 1.448 -1.188 0 C-N-CA 124.274 3.316 . . . . 1.0 109.561 179.884 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.4 123.7 85.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 1.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -71.48 120.67 7.1 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.311 3.341 . . . . 1.0 109.589 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -83.53 6.57 19.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 1.0 109.32 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -105.38 152.34 39.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 1.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -76.39 138.79 20.16 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.319 3.346 . . . . 1.0 109.611 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.6 m -124.22 129.52 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 1.0 109.257 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.86 144.53 31.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.2 t -117.92 67.04 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 1.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.37 102.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 1.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.48 -150.34 9.98 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 1.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -67.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 1.0 109.98 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.33 44.51 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 1.0 110.272 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -160.48 135.6 7.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.6 m -97.61 128.88 44.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 1.0 110.385 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.0 t -135.46 126.65 45.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 1.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -98.73 135.84 39.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 1.0 110.961 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -119.54 116.45 33.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 1.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.496 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 79.6 Cg_endo -85.32 138.92 6.73 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.296 3.331 . . . . 1.0 109.6 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 25' ' ' HIS . 6.1 m80 -87.65 -30.76 20.18 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.18 0.925 . . . . 1.0 109.815 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.665 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -47.82 -54.29 24.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 1.0 109.255 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.665 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 37.9 Cg_exo -64.37 -5.64 10.23 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.332 3.355 . . . . 1.0 109.572 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' HIS . 63.6 m80 -133.2 38.66 3.31 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 124.109 0.881 . . . . 1.0 109.811 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 6.8 tt0 -97.51 5.11 50.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 1.0 110.317 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.6 -5.19 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.6 t -101.52 118.38 48.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 1.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.428 ' O ' ' HB ' ' A' ' 32' ' ' THR . 5.5 mp0 -42.77 144.96 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 1.0 110.338 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 34' ' ' HIS . 4.4 m -59.35 -64.67 0.86 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 1.0 108.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' CYS . 3.1 p -38.7 -57.61 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 1.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 31' ' ' VAL . 16.6 m -35.77 -32.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 1.0 110.428 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -107.42 -57.09 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 1.0 108.303 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 30' ' ' CYS . 96.6 m-70 -81.74 72.21 8.78 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.99 -1.005 . . . . 1.0 109.722 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.553 ' HB2' ' CD2' ' A' ' 76' ' ' HIS . 1.7 p80 -42.07 160.55 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 O-C-N 124.112 0.882 . . . . 1.0 109.704 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.33 151.68 22.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 1.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.437 HG22 ' CB ' ' A' ' 42' ' ' SER . 79.5 t -115.81 113.5 43.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 1.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 55.54 41.46 30.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 1.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.5 31.39 77.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.107 . . . . 1.0 110.982 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.66 129.61 35.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.763 . . . . 1.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.75 147.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 1.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.437 ' CB ' HG22 ' A' ' 37' ' ' VAL . 4.1 t -142.91 141.63 31.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 1.0 110.016 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.412 ' CG ' ' O ' ' A' ' 42' ' ' SER . 97.2 m-85 -157.93 43.9 0.31 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.992 -1.004 . . . . 1.0 109.863 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' LYS . . . -105.52 149.31 26.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -40.06 144.93 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 1.0 109.265 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -49.25 -24.94 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 1.0 108.282 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -117.96 66.69 0.35 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.561 1.163 . . . . 1.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.2 t -100.85 167.46 10.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 0.754 . . . . 1.0 110.03 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.31 131.21 37.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 1.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.44 38.82 96.93 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 1.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.2 m -136.51 -145.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -89.31 82.1 6.56 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.001 -1.0 . . . . 1.0 109.734 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -133.1 54.77 1.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 1.0 109.254 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.13 96.49 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 1.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.3 mp -97.42 19.95 12.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -97.43 -7.05 32.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 1.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.54 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -86.47 -50.47 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 1.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 2.2 tppt? 90.34 -21.02 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 1.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -161.96 134.39 5.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 1.0 109.338 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 140.26 175.77 14.67 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 1.0 111.012 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.31 10.87 6.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 1.0 110.262 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.71 33.66 5.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 1.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -132.91 151.55 52.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 1.0 110.028 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.9 tp -110.03 42.39 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -134.36 -36.2 0.89 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.816 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.435 ' O ' ' CD2' ' A' ' 66' ' ' TYR . 84.0 t80 -87.01 4.18 42.94 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 118.918 -0.563 . . . . 1.0 109.84 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.4 m -124.47 1.2 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 1.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -103.32 -46.53 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 1.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.682 ' O ' ' C ' ' A' ' 70' ' ' ALA . 38.0 m80 -94.16 -80.81 0.39 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.96 -1.018 . . . . 1.0 109.775 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.682 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 12.15 92.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.84 21.27 7.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 1.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.12 -157.75 25.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.113 . . . . 1.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -83.87 105.12 14.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 1.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.514 ' CD1' ' CB ' ' A' ' 70' ' ' ALA . 79.6 mt -113.47 -178.91 3.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 1.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -50.38 71.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 1.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.553 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 18.9 m80 -108.8 -139.71 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.0 109.588 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.2 m -124.16 104.68 8.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 1.0 110.38 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -67.35 165.96 15.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 1.0 109.96 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.417 ' C ' ' N ' ' A' ' 81' ' ' ALA . 9.2 m -61.47 -66.86 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 1.0 108.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -48.42 -22.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 1.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -65.16 -69.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 1.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 85' ' ' LYS . 47.7 t -51.73 -61.84 2.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 1.0 108.292 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -37.75 -29.69 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.74 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' CYS . 5.6 t -59.3 -49.05 79.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 1.0 110.056 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 82' ' ' CYS . 0.0 OUTLIER -68.21 -37.05 80.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.424 HG12 ' CD1' ' A' ' 97' ' ' LEU . 80.7 t -57.0 -48.07 82.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 1.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.532 ' CG2' ' CG2' ' A' ' 98' ' ' THR . 24.2 t -55.58 -20.46 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 1.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 109.33 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.497 ' OD2' ' CG ' ' A' ' 104' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.311 -0.625 . . . . 1.0 109.311 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.424 ' CD1' HG12 ' A' ' 86' ' ' VAL . 7.8 mt -101.68 -15.06 17.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.532 ' CG2' ' CG2' ' A' ' 87' ' ' VAL . 1.2 p -136.58 38.46 2.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 1.0 110.41 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.64 130.92 10.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 1.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 76.8 m -70.06 -29.91 67.03 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.81 170.9 15.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 1.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 47.27 39.34 8.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 1.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 94.5 p -121.64 -168.31 1.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 1.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.497 ' CG ' ' OD2' ' A' ' 96' ' ' ASP . 0.1 OUTLIER -92.52 7.15 44.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 1.0 109.329 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.07 -54.12 2.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 1.0 108.336 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -113.44 65.04 1.08 Allowed Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.779 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo . . . . . 0 N--CA 1.448 -1.188 0 C-N-CA 124.267 3.311 . . . . 1.0 109.577 179.886 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.255 -0.646 . . . . 1.0 109.255 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.0 p -53.36 125.51 43.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 1.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.68 125.47 12.22 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.328 3.352 . . . . 1.0 109.566 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.6 p30 -85.39 9.09 16.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 1.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.22 147.44 44.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 1.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -79.37 126.31 6.79 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.303 3.335 . . . . 1.0 109.583 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.0 m -101.35 141.79 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.0 109.327 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.36 141.39 50.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 1.0 110.262 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 12' ' ' LYS . 34.0 t -114.57 64.81 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 1.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 11' ' ' VAL . 6.8 mmtt -39.37 146.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 1.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -144.44 -149.87 5.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.447 1.092 . . . . 1.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.447 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -57.36 -73.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 1.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.427 ' N ' ' OG ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -146.03 46.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 110.325 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.556 ' HD2' ' CE1' ' A' ' 106' ' ' HIS . 0.2 OUTLIER -162.4 110.28 1.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 1.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.6 m -81.77 134.78 35.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 1.0 110.355 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.4 t -139.43 127.46 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 1.0 109.284 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -103.16 136.6 42.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -117.63 122.91 30.26 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 1.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.507 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 34.4 Cg_endo -87.39 137.95 4.47 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.302 3.335 . . . . 1.0 109.589 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' HIS . 4.7 m80 -87.45 -33.11 19.16 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 124.134 0.896 . . . . 1.0 109.785 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.681 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -47.71 -54.87 19.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 1.0 109.243 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.681 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 26.2 Cg_exo -65.02 -4.95 9.86 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.313 3.342 . . . . 1.0 109.586 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 22' ' ' HIS . 70.3 m80 -133.65 38.75 3.23 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 124.159 0.912 . . . . 1.0 109.78 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.539 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 10.6 tt0 -101.4 7.69 42.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 1.0 110.311 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.45 -4.8 10.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 1.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.2 t -102.47 117.68 48.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 1.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.418 ' OE1' ' CG1' ' A' ' 31' ' ' VAL . 0.3 OUTLIER -39.5 134.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.075 . . . . 1.0 110.323 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.6 m -49.77 -61.13 2.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 1.0 108.315 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' CYS . 7.6 p -40.27 -52.93 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 1.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' VAL . 3.7 m -36.9 -32.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -110.4 -54.22 2.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 1.0 108.283 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -83.61 75.25 10.06 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.008 -0.996 . . . . 1.0 109.782 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -48.65 159.71 0.22 Allowed 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.118 0.886 . . . . 1.0 109.778 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.42 150.74 25.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 1.0 109.286 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.2 t -124.56 113.07 34.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 1.0 109.248 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 52.83 40.69 31.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 1.0 109.279 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.01 31.39 61.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.118 . . . . 1.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.45 93.13 3.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.787 . . . . 1.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -44.25 124.19 3.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 1.0 110.317 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.2 t -134.21 158.55 43.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 1.0 110.035 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -142.89 56.72 1.41 Allowed 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.029 -0.987 . . . . 1.0 109.854 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.86 148.7 23.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -39.98 142.8 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 1.0 109.254 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.58 -36.57 35.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 1.0 108.313 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.09 51.43 0.96 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 1.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.35 154.34 42.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 1.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.0 98.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 1.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.81 -40.35 2.35 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 1.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 55.6 m -63.53 -129.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.317 -0.994 . . . . 1.0 108.317 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -86.04 72.13 10.48 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.999 -1.001 . . . . 1.0 109.772 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -126.81 51.49 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 1.0 109.318 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -150.95 90.67 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 1.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.447 ' CD1' ' HA ' ' A' ' 14' ' ' SER . 0.5 OUTLIER -97.69 20.49 11.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 1.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.56 -5.88 24.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 1.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -85.9 -49.64 7.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 1.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 11.8 tptm 90.65 -23.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 1.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -164.44 125.34 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 1.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 154.53 -177.99 31.57 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.106 . . . . 1.0 111.047 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -85.09 14.54 4.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 1.0 110.338 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 1.7 mttt -136.06 40.19 2.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 1.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -135.47 143.86 46.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 1.0 110.03 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.6 tp -101.94 38.67 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 1.0 109.353 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -131.5 -37.39 1.21 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.827 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -87.77 -2.0 58.33 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 118.944 -0.551 . . . . 1.0 109.861 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.7 m -118.69 2.32 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -101.79 -49.27 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 1.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.688 ' O ' ' C ' ' A' ' 70' ' ' ALA . 31.4 m80 -92.95 -80.13 0.38 Allowed 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.988 -1.006 . . . . 1.0 109.763 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.688 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 11.69 89.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 1.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -91.93 29.63 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 1.0 110.282 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.87 -164.23 18.57 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 1.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -79.14 102.03 8.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 1.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.474 HD13 ' CB ' ' A' ' 70' ' ' ALA . 86.4 mt -110.09 158.82 17.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 1.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -45.31 -31.78 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 1.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -123.68 -142.73 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 1.0 109.595 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.9 m -126.77 105.15 8.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 1.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -68.6 165.78 18.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 1.0 110.008 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 16.2 m -60.92 -67.03 0.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 1.0 108.329 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.96 -22.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 1.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.82 -70.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 1.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 85' ' ' LYS . 52.5 t -49.86 -60.01 3.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 1.0 108.27 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -40.39 -30.8 0.12 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.024 -0.989 . . . . 1.0 109.798 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -48.99 67.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 1.0 109.986 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 82' ' ' CYS . 0.0 OUTLIER -66.73 -38.65 87.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 1.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.4 t -59.89 -49.86 82.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 1.0 109.258 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.3 t -53.96 -32.08 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 1.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 1.0 109.258 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.3 -0.63 . . . . 1.0 109.3 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 74.5 mt -106.65 -19.02 13.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 1.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.2 p -131.29 27.38 4.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 1.0 110.396 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.57 133.24 11.23 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.552 1.157 . . . . 1.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 68.2 m -69.08 -29.4 67.5 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.291 -1.003 . . . . 1.0 108.291 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -139.94 172.85 12.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 45.79 38.05 3.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 1.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.3 p -119.98 -177.29 3.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 1.0 109.948 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.29 -0.5 55.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 1.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.421 ' C ' ' CD ' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -108.54 -49.46 3.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 1.0 108.31 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.556 ' CE1' ' HD2' ' A' ' 16' ' ' LYS . 91.6 m-70 -117.19 58.06 2.11 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.75 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 106' ' ' HIS . 55.5 Cg_endo . . . . . 0 N--CA 1.447 -1.238 0 C-N-CA 124.327 3.352 . . . . 1.0 109.621 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.7 p -59.46 116.72 17.51 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 1.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -45.86 135.08 13.95 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.315 3.343 . . . . 1.0 109.626 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -84.23 7.46 19.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 1.0 109.306 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.23 152.62 77.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 1.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -74.84 162.98 36.5 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.252 3.301 . . . . 1.0 109.615 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.13 144.32 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 1.0 109.28 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -82.85 145.99 29.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.0 110.325 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.0 t -120.59 69.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 1.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.76 141.41 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.68 -149.36 5.54 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 1.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.434 ' OG ' ' N ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -57.76 -74.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 1.0 110.024 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.434 ' N ' ' OG ' ' A' ' 14' ' ' SER . 0.7 OUTLIER -147.19 46.65 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 1.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -161.05 94.17 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 1.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.3 m -70.95 133.7 46.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 1.0 110.416 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.2 t -140.42 127.01 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 1.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.8 ptp -103.06 138.83 39.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 1.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -116.04 124.44 29.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 1.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.512 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 32.5 Cg_endo -87.85 138.6 4.36 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.278 3.319 . . . . 1.0 109.582 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' HIS . 8.0 m80 -87.64 -33.26 18.89 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 124.1 0.875 . . . . 1.0 109.753 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.683 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -47.95 -54.82 21.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 1.0 109.311 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.683 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 26.1 Cg_exo -65.31 -5.19 10.72 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.323 3.349 . . . . 1.0 109.616 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' HIS . 70.1 m80 -134.7 40.57 2.95 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 124.172 0.92 . . . . 1.0 109.762 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.18 9.74 39.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 1.0 110.314 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.3 -3.5 9.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 1.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.7 t -103.34 123.02 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 1.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 32' ' ' THR . 2.2 mt-10 -44.63 134.07 5.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 1.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.6 m -49.99 -59.32 3.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 1.0 108.274 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 32' ' ' THR . 7.4 p -39.48 -48.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 1.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.404 ' CB ' ' O ' ' A' ' 29' ' ' GLU . 2.0 m -38.71 -39.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 110.397 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -105.37 -54.95 2.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 1.0 108.284 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -82.77 72.87 9.84 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.989 -1.005 . . . . 1.0 109.761 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.525 ' HB2' ' CD2' ' A' ' 76' ' ' HIS . 5.2 p80 -48.53 160.55 0.16 Allowed 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.201 0.938 . . . . 1.0 109.765 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.41 147.53 29.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 1.0 109.321 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -121.21 113.09 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 52.71 41.24 31.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 1.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.96 35.08 62.71 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.55 1.156 . . . . 1.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -133.91 96.11 3.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 0.8 . . . . 1.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.34 123.03 3.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 1.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.7 t -137.86 158.68 43.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 1.0 109.959 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -140.95 56.35 1.56 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.939 -1.028 . . . . 1.0 109.814 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.47 144.92 25.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 1.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.48 149.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 1.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -36.0 29.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 108.285 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -107.71 62.69 0.29 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.479 1.112 . . . . 1.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.8 t -96.51 168.2 10.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.774 . . . . 1.0 110.005 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.8 p -53.39 128.28 27.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 61.73 51.76 55.24 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.153 . . . . 1.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.3 m -148.31 -142.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.329 -0.989 . . . . 1.0 108.329 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -90.77 82.91 5.69 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.026 -0.988 . . . . 1.0 109.763 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -134.42 48.94 2.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.078 . . . . 1.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -147.2 97.26 2.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.03 18.95 11.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 1.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.87 -38.53 8.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 1.0 110.414 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.549 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -55.79 -56.15 23.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 1.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.1 OUTLIER 91.11 -25.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 1.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.0 pttp -153.22 136.51 15.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 1.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.46 -179.38 17.8 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.571 1.17 . . . . 1.0 110.96 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.427 ' OE2' ' N ' ' A' ' 61' ' ' GLU . 3.7 pm0 -85.08 15.17 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 1.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -131.95 36.97 3.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 1.0 109.35 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -134.12 143.82 48.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 1.0 109.967 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 36.1 tp -101.65 37.74 1.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 109.298 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -131.54 -35.58 1.3 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.022 -0.99 . . . . 1.0 109.835 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -87.68 -0.79 57.38 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.861 -0.59 . . . . 1.0 109.822 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 m -120.47 1.89 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 1.0 109.321 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -102.3 -45.58 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 1.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.672 ' O ' ' C ' ' A' ' 70' ' ' ALA . 34.4 m80 -96.42 -81.19 0.42 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.773 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.672 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 14.97 85.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 1.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -85.14 13.39 6.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 1.0 110.324 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.93 -168.93 36.5 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 1.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -80.75 105.69 12.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 1.0 110.327 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.528 ' CD1' ' CB ' ' A' ' 70' ' ' ALA . 36.8 mt -112.06 173.81 6.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -49.5 -51.07 38.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 1.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.525 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 15.8 m80 -107.98 -139.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 1.0 109.59 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.2 m -125.78 104.76 8.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 1.0 110.449 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.78 166.5 13.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 1.0 109.974 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 81' ' ' ALA . 10.9 m -61.5 -67.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 1.0 108.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.3 mm? -48.24 -22.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.469 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -64.52 -70.53 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 1.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.1 t -50.54 -58.67 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 1.0 108.306 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -41.42 -28.19 0.11 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.797 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 2.4 t -58.67 -46.34 87.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 1.0 110.015 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -71.94 -39.3 69.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 1.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.428 ' CG1' HD13 ' A' ' 97' ' ' LEU . 72.5 t -53.96 -44.69 62.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 1.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.54 ' CG2' ' CG2' ' A' ' 98' ' ' THR . 24.2 t -54.75 -28.9 20.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 1.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 1.0 109.264 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.276 -0.639 . . . . 1.0 109.276 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.428 HD13 ' CG1' ' A' ' 86' ' ' VAL . 6.5 mt -108.17 -10.05 15.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 1.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.54 ' CG2' ' CG2' ' A' ' 87' ' ' VAL . 5.5 p -140.13 38.43 1.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 1.0 110.399 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -102.36 127.99 9.4 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 1.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 73.4 m -70.14 -30.16 67.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.295 -1.002 . . . . 1.0 108.295 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -146.25 169.6 18.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 1.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 106' ' ' HIS . 39.6 mttt 45.11 49.51 9.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 1.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.9 p -132.18 -166.85 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.19 2.75 51.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 1.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -117.62 -53.63 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 1.0 108.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 102' ' ' LYS . 88.6 m-70 -115.29 81.64 8.5 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.756 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo . . . . . 0 N--CA 1.446 -1.269 0 C-N-CA 124.368 3.378 . . . . 1.0 109.573 179.865 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.59 120.35 51.81 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 1.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -74.94 125.5 9.4 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.282 3.321 . . . . 1.0 109.603 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 6' ' ' ASP . 15.0 p-10 -85.11 8.99 16.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 1.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.92 94.8 31.25 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 1.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.427 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 10.4 Cg_exo -39.42 142.62 0.4 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.274 3.316 . . . . 1.0 109.594 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.88 148.28 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 1.0 109.259 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.7 142.04 29.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 1.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' GLY . 49.1 t -119.85 68.0 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 1.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 80.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 1.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' VAL . . . -56.01 -110.14 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.525 1.141 . . . . 1.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.91 -65.81 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 1.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.64 -60.71 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 1.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.02 134.56 56.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 1.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.2 m -98.16 133.42 42.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 110.408 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.0 t -135.95 128.35 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 1.0 109.354 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.98 135.33 48.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 1.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.46 ' CE1' ' ND1' ' A' ' 25' ' ' HIS . 19.9 t80 -111.99 126.12 29.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 1.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.529 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 30.4 Cg_endo -88.51 138.93 3.95 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.32 3.347 . . . . 1.0 109.575 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.414 ' O ' ' N ' ' A' ' 25' ' ' HIS . 5.8 m80 -87.47 -33.13 19.13 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.145 0.903 . . . . 1.0 109.737 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.684 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -48.57 -54.93 22.15 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 1.0 109.275 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.684 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 28.7 Cg_exo -64.92 -5.82 11.47 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.358 3.372 . . . . 1.0 109.582 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.46 ' ND1' ' CE1' ' A' ' 20' ' ' PHE . 62.2 m80 -135.0 40.79 2.89 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 124.202 0.939 . . . . 1.0 109.757 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.45 7.39 42.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 1.0 110.321 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.67 -22.19 9.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.1 t -85.4 122.31 38.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 1.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.439 ' O ' ' CB ' ' A' ' 32' ' ' THR . 1.2 mt-10 -45.67 137.73 5.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 110.299 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 31' ' ' VAL . 4.7 m -50.08 -58.73 4.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 1.0 108.322 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 30' ' ' CYS . 14.4 p -37.88 -47.47 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 1.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.439 ' CB ' ' O ' ' A' ' 29' ' ' GLU . 3.8 m -38.02 -49.06 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 1.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 m -97.27 -54.09 3.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 108.256 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -82.83 68.24 9.23 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.017 -0.992 . . . . 1.0 109.744 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.575 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 7.6 p80 -48.7 160.84 0.16 Allowed 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.148 0.905 . . . . 1.0 109.795 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.22 152.02 26.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 1.0 109.309 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 82.6 t -123.2 112.79 35.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 1.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 54.05 40.96 32.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 1.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.59 33.57 62.79 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.524 1.14 . . . . 1.0 111.054 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.68 103.09 6.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 1.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -44.8 129.2 7.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 1.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.525 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 37.6 t -142.75 158.78 43.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 1.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.525 ' CD1' ' C ' ' A' ' 42' ' ' SER . 41.1 m-85 -149.12 55.37 0.99 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.865 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.72 149.37 22.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 1.0 109.356 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -40.63 145.92 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 1.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.77 -24.78 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 1.0 108.297 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 45' ' ' LYS . . . -117.27 66.66 0.33 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.524 1.14 . . . . 1.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.4 t -101.84 168.79 9.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 1.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.1 p -55.62 131.23 45.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 1.0 110.025 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.02 33.76 88.06 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.532 1.145 . . . . 1.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 13.4 m -134.37 -146.54 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -92.01 73.88 5.57 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.99 -1.005 . . . . 1.0 109.744 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -122.71 52.17 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 1.0 109.302 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -152.14 95.72 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 1.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.8 17.84 9.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -98.28 -50.09 4.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 1.0 110.428 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.537 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -39.62 -54.22 2.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 1.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 90.14 -35.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 1.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -148.05 115.76 6.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 1.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.75 160.32 9.57 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 1.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.83 -17.91 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 1.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 1.5 mptt -99.55 36.17 1.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 1.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 t -131.42 135.48 47.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 1.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.8 tp -99.09 37.62 1.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 1.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -129.86 -34.24 1.74 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.864 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -86.16 -5.0 59.28 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 118.961 -0.542 . . . . 1.0 109.878 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.3 m -116.6 3.36 7.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 1.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 t -102.97 -45.87 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 1.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.694 ' O ' ' C ' ' A' ' 70' ' ' ALA . 44.5 m80 -95.66 -81.48 0.4 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.792 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.694 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 10.36 92.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 1.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.84 22.4 3.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 1.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -101.55 -171.85 28.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 1.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -77.63 95.77 4.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 0.757 . . . . 1.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.469 HD11 ' CB ' ' A' ' 70' ' ' ALA . 73.4 mt -101.15 157.42 16.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 1.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 74' ' ' LEU . 1.5 mmtp -39.72 -33.96 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 1.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 35' ' ' HIS . 5.9 t60 -122.07 -143.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 109.578 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.6 m -125.7 104.48 8.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 1.0 110.447 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -67.76 168.48 11.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 1.0 110.003 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 18.3 m -62.96 -66.21 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 1.0 108.268 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.6 OUTLIER -48.95 -22.48 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 1.0 109.271 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -63.54 -70.9 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 1.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 84' ' ' SER . 52.6 t -49.6 -61.95 1.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 1.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -38.2 -29.28 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.783 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 4.5 t -58.5 -49.05 78.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 1.0 110.02 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 82' ' ' CYS . 0.2 OUTLIER -68.3 -36.66 79.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 1.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.461 HG12 ' CD1' ' A' ' 97' ' ' LEU . 93.1 t -58.83 -49.08 84.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.41 ' CG2' ' CG2' ' A' ' 98' ' ' THR . 6.6 t -54.9 -19.62 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 1.0 109.244 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.528 1.142 . . . . 1.0 109.305 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.333 -0.617 . . . . 1.0 109.333 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.461 ' CD1' HG12 ' A' ' 86' ' ' VAL . 34.3 mt -94.0 -19.52 20.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 1.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.41 ' CG2' ' CG2' ' A' ' 87' ' ' VAL . 1.5 p -134.55 38.74 3.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 1.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.38 127.23 9.18 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 1.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 71.7 m -69.21 -30.98 69.26 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.83 166.77 24.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 1.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 46.61 44.76 13.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 1.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.14 -161.15 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 1.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -97.29 12.21 33.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 1.0 109.355 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -127.21 -53.95 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 1.0 108.314 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -110.89 67.56 0.56 Allowed Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.767 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo . . . . . 0 N--CA 1.447 -1.219 0 C-N-CA 124.301 3.334 . . . . 1.0 109.615 179.845 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.358 -0.608 . . . . 1.0 109.358 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.85 122.5 79.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 1.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -72.75 123.41 8.97 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.294 3.329 . . . . 1.0 109.618 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -87.06 11.0 14.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 109.306 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.43 87.64 21.17 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 1.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.473 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 16.8 Cg_exo -42.42 148.86 0.37 Allowed 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.316 3.344 . . . . 1.0 109.616 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.33 148.17 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 1.0 109.313 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.59 146.99 27.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 1.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.0 t -123.74 75.38 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 1.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.9 90.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 1.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.32 -147.53 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 1.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -60.19 3.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 1.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -148.51 47.23 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 1.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.39 111.44 1.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 1.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 91.9 m -79.47 129.12 34.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 1.0 110.396 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 t -140.01 126.54 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 1.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -107.79 134.23 51.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 1.0 111.017 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.476 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 23.8 t80 -110.86 123.41 35.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 1.0 110.956 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.533 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 32.6 Cg_endo -87.98 140.1 4.78 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 124.315 3.344 . . . . 1.0 109.564 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' HIS . 3.9 m80 -87.3 -34.34 18.92 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.107 0.88 . . . . 1.0 109.754 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.688 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -48.28 -55.19 19.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 1.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.688 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 31.6 Cg_exo -62.78 -6.93 10.03 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.3 3.333 . . . . 1.0 109.599 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.476 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 69.9 m80 -132.9 40.78 3.21 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 124.161 0.913 . . . . 1.0 109.754 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.565 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 24.6 tt0 -101.18 6.43 43.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 1.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -122.03 -0.78 9.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 1.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.1 t -102.31 125.47 56.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 1.0 109.249 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -44.68 126.49 5.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 1.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.8 m -47.65 -60.64 2.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.127 . . . . 1.0 108.274 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 32' ' ' THR . 2.9 p -39.63 -52.06 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 1.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 31' ' ' VAL . 2.8 m -36.93 -35.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 1.0 110.417 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.13 -51.44 2.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 1.0 108.285 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -84.84 65.53 9.2 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.751 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.406 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 2.0 p80 -43.06 159.83 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.606 0 O-C-N 124.178 0.924 . . . . 1.0 109.759 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.442 ' N ' ' CD2' ' A' ' 36' ' ' LEU . 1.4 mt -84.02 148.35 26.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.4 t -117.52 112.49 39.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 1.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 54.5 40.75 32.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 1.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.03 40.09 72.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.545 1.153 . . . . 1.0 111.044 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -127.7 113.56 16.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 1.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.85 98.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 1.0 110.318 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -126.21 157.35 38.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 1.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -139.21 54.08 1.72 Allowed 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.041 -0.981 . . . . 1.0 109.804 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.66 140.57 30.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 1.0 109.335 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.34 145.51 47.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 1.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.83 174.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 1.0 108.276 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.57 47.98 56.46 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.472 1.107 . . . . 1.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.0 t -115.08 167.58 10.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 1.0 109.957 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 t -64.67 130.3 43.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 1.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.406 ' C ' ' SG ' ' A' ' 51' ' ' CYS . . . 70.2 41.89 68.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 1.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.406 ' SG ' ' C ' ' A' ' 50' ' ' GLY . 17.6 m -150.81 -145.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.323 -0.992 . . . . 1.0 108.323 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -88.16 96.81 10.68 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.99 -1.004 . . . . 1.0 109.791 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -146.45 53.51 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 1.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.67 95.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 1.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.04 19.27 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 1.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.05 -6.23 28.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 1.0 110.395 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.55 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -84.74 -50.85 7.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 1.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.55 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 91.08 -27.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 1.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -155.1 136.32 13.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 1.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 137.01 178.71 16.05 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 1.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -84.01 13.27 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 0.744 . . . . 1.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -128.54 35.58 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 1.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -133.9 147.78 51.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 1.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 35.7 tp -105.91 40.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 1.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -133.2 -37.16 0.98 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.842 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -86.87 1.39 52.65 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.89 -0.576 . . . . 1.0 109.798 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.1 m -123.0 0.45 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 1.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -102.43 -45.26 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 1.0 109.245 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.682 ' O ' ' C ' ' A' ' 70' ' ' ALA . 35.7 m80 -96.2 -81.19 0.41 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.037 -0.983 . . . . 1.0 109.773 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.682 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 13.39 90.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 1.0 109.325 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.4 ' H ' ' CD ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -91.55 21.41 4.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 1.0 110.315 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -101.86 -161.33 26.71 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 1.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.37 102.69 12.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 1.0 110.308 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.51 ' CD1' ' CB ' ' A' ' 70' ' ' ALA . 59.4 mt -110.97 171.14 7.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 1.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -50.92 37.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 1.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.406 ' CD2' ' HB3' ' A' ' 35' ' ' HIS . 12.9 t60 -108.15 -139.7 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 1.0 109.609 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.2 m -125.96 104.68 8.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 1.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -66.22 166.6 11.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 1.0 110.061 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 81' ' ' ALA . 9.0 m -61.52 -66.16 0.58 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 1.0 108.262 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -48.73 -22.24 0.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 1.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -65.45 -71.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 1.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 85' ' ' LYS . 54.0 t -49.09 -65.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 1.0 108.257 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -34.41 -35.58 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.988 -1.006 . . . . 1.0 109.796 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 1.3 t -53.36 -50.75 64.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 1.0 110.004 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 82' ' ' CYS . 2.8 mmtm -66.2 -37.32 85.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 1.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.535 ' CG1' ' CD1' ' A' ' 97' ' ' LEU . 91.3 t -59.35 -52.09 64.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 1.0 109.258 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.468 ' CG2' HG23 ' A' ' 98' ' ' THR . 3.0 t -54.35 -19.85 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 1.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 1.0 109.334 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.32 -0.622 . . . . 1.0 109.32 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.535 ' CD1' ' CG1' ' A' ' 86' ' ' VAL . 32.6 mt -94.32 -33.33 13.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 1.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.468 HG23 ' CG2' ' A' ' 87' ' ' VAL . 13.4 p -124.16 44.96 2.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 110.43 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.25 125.8 8.7 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.139 . . . . 1.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.3 m -70.28 -30.19 67.14 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.345 -0.983 . . . . 1.0 108.345 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.8 167.34 22.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 1.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.36 44.75 1.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 1.0 109.262 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.426 ' OG ' ' N ' ' A' ' 104' ' ' LYS . 3.1 p -119.56 -151.73 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 1.0 110.027 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.443 ' HA ' ' CE ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -106.43 16.88 24.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 1.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.83 -52.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 1.0 108.272 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -111.67 66.4 0.68 Allowed Pre-proline 0 CA--C 1.54 0.569 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.749 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo . . . . . 0 N--CA 1.447 -1.239 0 C-N-CA 124.301 3.334 . . . . 1.0 109.588 179.842 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.305 -0.628 . . . . 1.0 109.305 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.86 124.36 57.52 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 1.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.15 130.93 19.69 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.298 3.332 . . . . 1.0 109.584 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -84.03 7.25 19.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 1.0 109.274 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.9 148.12 42.68 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 1.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -78.62 137.91 14.84 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.35 3.367 . . . . 1.0 109.581 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.47 131.99 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 1.0 109.296 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.19 143.53 52.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.3 t -124.62 71.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 1.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 94.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.5 -150.01 1.47 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 1.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -62.42 1.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 0.719 . . . . 1.0 110.048 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -146.0 46.55 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.93 125.83 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 1.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.7 m -93.61 120.04 33.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 1.0 110.391 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.4 t -129.24 126.22 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 1.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -99.86 136.86 39.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 1.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -117.21 122.85 30.65 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 1.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.514 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 34.5 Cg_endo -88.25 138.83 4.13 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.305 3.337 . . . . 1.0 109.622 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 25' ' ' HIS . 5.0 m80 -87.63 -33.49 18.81 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 124.137 0.898 . . . . 1.0 109.783 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.683 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -47.61 -54.79 20.15 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 1.0 109.295 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.683 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 39.7 Cg_exo -63.93 -5.5 9.26 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.316 3.344 . . . . 1.0 109.598 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 22' ' ' HIS . 69.9 m80 -134.32 40.19 3.03 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.115 0.885 . . . . 1.0 109.77 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.13 6.33 44.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 1.0 110.286 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.43 -21.57 10.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 1.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.3 t -85.52 120.94 36.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 1.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.49 137.05 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 1.0 110.258 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 34' ' ' HIS . 7.5 m -49.39 -61.44 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 1.0 108.292 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.456 ' CG2' HD23 ' A' ' 36' ' ' LEU . 4.2 p -40.14 -52.18 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 1.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' VAL . 2.9 m -37.09 -32.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 1.0 110.383 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -111.1 -54.72 2.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 1.0 108.32 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.4 m-70 -82.9 73.82 9.91 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 114.955 -1.021 . . . . 1.0 109.72 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.446 ' HB2' ' CD2' ' A' ' 76' ' ' HIS . 2.9 p80 -47.82 161.66 0.09 Allowed 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.148 0.905 . . . . 1.0 109.733 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.456 HD23 ' CG2' ' A' ' 31' ' ' VAL . 5.1 mt -85.85 150.6 24.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 1.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.7 t -118.85 112.57 38.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 54.74 41.29 32.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 1.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.2 38.5 67.7 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 1.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.03 125.54 23.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 1.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -48.46 125.73 10.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.595 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 33.5 t -135.48 150.08 49.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 1.0 110.039 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 42' ' ' SER . 73.2 m-85 -156.97 46.53 0.41 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.01 -0.996 . . . . 1.0 109.802 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 45' ' ' LYS . . . -96.65 153.03 18.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 1.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' ALA . 1.5 mmtp -39.89 148.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.9 -32.91 15.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 108.332 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.21 65.97 0.31 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 1.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -98.45 168.26 10.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 0.777 . . . . 1.0 109.974 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.2 p -48.05 121.77 4.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 1.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.07 45.94 68.94 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 1.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 14.0 m -144.43 -145.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -92.66 73.92 5.03 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.766 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -126.73 53.89 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 1.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -159.39 94.55 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 1.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.451 ' CD2' ' HB3' ' A' ' 64' ' ' LEU . 4.2 mm? -90.56 15.32 11.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 1.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.8 m -72.19 -19.82 61.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 1.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.61 161.05 14.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 1.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.574 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 50.9 tttt -101.35 -4.3 27.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 1.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.67 132.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 1.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 155.95 157.4 8.27 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 1.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.74 -16.88 12.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 0.727 . . . . 1.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -108.95 39.31 2.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 1.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 t -134.47 139.47 45.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 1.0 109.982 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.451 ' HB3' ' CD2' ' A' ' 55' ' ' LEU . 44.4 tp -99.03 37.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 1.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 3.6 t80 -129.89 -34.53 1.71 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.962 -1.017 . . . . 1.0 109.849 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -87.57 -1.56 58.02 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 118.871 -0.585 . . . . 1.0 109.799 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.3 m -119.59 5.06 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 1.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -106.19 -42.92 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 1.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.684 ' O ' ' C ' ' A' ' 70' ' ' ALA . 36.3 m80 -98.91 -82.25 0.44 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.035 -0.984 . . . . 1.0 109.736 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.684 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 12.98 90.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 1.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.67 28.1 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 1.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.94 -166.92 20.68 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 1.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -78.43 102.52 7.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 0.793 . . . . 1.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.46 HD12 ' CB ' ' A' ' 70' ' ' ALA . 82.0 mt -110.0 157.59 19.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 1.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.71 -31.21 1.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 1.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.446 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 19.9 m80 -122.17 -142.46 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 1.0 109.553 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 28.4 m -128.99 104.76 7.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 1.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -69.12 166.73 17.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 1.0 109.985 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.412 ' C ' ' N ' ' A' ' 81' ' ' ALA . 6.1 m -62.15 -66.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 1.0 108.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -48.18 -23.05 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 1.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.436 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -64.05 -69.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 1.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 84' ' ' SER . 42.1 t -53.18 -62.54 1.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 1.0 108.313 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -37.95 -29.25 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.745 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 82' ' ' CYS . 3.1 p -58.2 -52.09 67.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 1.0 110.016 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 82' ' ' CYS . 0.1 OUTLIER -66.38 -36.66 83.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 1.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.41 ' N ' ' HG3' ' A' ' 85' ' ' LYS . 54.6 t -54.0 -40.42 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 1.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.4 t -54.65 -28.48 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 1.0 109.253 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 1.0 109.255 -179.937 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.286 -0.635 . . . . 1.0 109.286 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.4 mt -113.18 -11.53 13.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.6 p -144.27 40.84 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.0 110.376 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.2 128.06 9.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 1.0 110.997 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 79.3 m -70.17 -31.84 69.51 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.413 ' O ' ' CG ' ' A' ' 102' ' ' LYS . . . -140.56 173.85 11.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 1.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER 46.5 31.44 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 1.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.5 t -114.85 179.91 3.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 1.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.561 ' HZ2' ' N ' ' A' ' 105' ' ' CYS . 0.0 OUTLIER -86.0 -3.25 58.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.561 ' N ' ' HZ2' ' A' ' 104' ' ' LYS . 0.8 OUTLIER -103.73 -39.17 6.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 1.0 108.306 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.557 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 81.5 m-70 -130.08 51.04 6.77 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 114.952 -1.022 . . . . 1.0 109.767 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 106' ' ' HIS . 28.7 Cg_endo . . . . . 0 N--CA 1.447 -1.223 0 C-N-CA 124.326 3.351 . . . . 1.0 109.589 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.284 -0.636 . . . . 1.0 109.284 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.6 p -42.8 128.4 3.13 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 1.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.415 ' HG2' ' ND1' ' A' ' 22' ' ' HIS . 25.7 Cg_endo -63.11 138.31 66.55 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.323 3.349 . . . . 1.0 109.573 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -94.96 25.42 4.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 1.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.483 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -152.63 146.82 18.56 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 1.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.483 ' HD2' ' CG ' ' A' ' 7' ' ' LYS . 57.1 Cg_endo -70.1 135.25 29.19 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.293 3.329 . . . . 1.0 109.64 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.7 m -104.39 144.37 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 1.0 109.262 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.52 140.82 44.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 1.0 110.289 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.1 t -121.21 69.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 1.0 109.311 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -43.62 127.22 4.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 1.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.61 -153.31 10.61 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.5 1.125 . . . . 1.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.7 -71.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 1.0 110.047 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.57 43.43 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 1.0 110.238 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -161.83 137.66 7.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 1.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.6 m -99.47 130.82 45.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.0 110.411 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.5 t -133.27 126.62 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 1.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.64 130.02 51.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 1.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.457 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 22.3 t80 -111.06 124.2 33.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 111.023 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.499 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 33.7 Cg_endo -87.97 138.65 4.29 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.367 3.378 . . . . 1.0 109.561 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 25' ' ' HIS . 7.7 m80 -88.06 -32.68 18.63 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 124.135 0.897 . . . . 1.0 109.767 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.673 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -47.84 -54.27 25.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 1.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.673 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 27.6 Cg_exo -65.47 -4.97 10.46 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.307 3.338 . . . . 1.0 109.58 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.457 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 69.5 m80 -133.7 38.84 3.22 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 124.104 0.877 . . . . 1.0 109.739 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.56 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 8.4 tt0 -100.3 6.73 44.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.0 110.275 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -116.06 -9.19 11.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 1.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 t -99.27 125.1 52.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 1.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.96 136.67 11.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 1.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 34' ' ' HIS . 7.1 m -49.58 -61.52 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 1.0 108.326 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 32' ' ' THR . 3.4 p -40.31 -52.2 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' VAL . 3.1 m -37.05 -34.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 1.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -108.35 -55.51 2.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 1.0 108.283 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.5 m-70 -82.1 74.79 9.05 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.957 -1.019 . . . . 1.0 109.713 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.476 ' CG ' ' CE1' ' A' ' 76' ' ' HIS . 3.5 p80 -48.47 161.64 0.12 Allowed 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.162 0.914 . . . . 1.0 109.78 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.52 155.36 21.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 1.0 109.34 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.7 t -120.73 113.54 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 1.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 57.21 41.65 26.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.22 33.5 70.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.568 1.168 . . . . 1.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -137.01 126.9 25.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 1.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -43.8 143.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 1.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.484 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -149.13 147.81 28.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 1.0 110.0 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.484 ' CD1' ' O ' ' A' ' 42' ' ' SER . 79.1 m-85 -154.72 43.1 0.49 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.019 -0.991 . . . . 1.0 109.818 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.13 148.41 22.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 109.336 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.95 144.23 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 1.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -47.02 -32.18 3.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 1.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.25 63.86 0.28 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.549 1.156 . . . . 1.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.8 t -97.93 168.4 10.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 0.745 . . . . 1.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.5 t -54.55 133.11 46.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 1.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.12 37.32 94.28 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 1.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.9 m -136.31 -145.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.27 -1.011 . . . . 1.0 108.27 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -89.57 80.33 6.69 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.76 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -129.91 55.86 1.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 1.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.61 89.37 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 1.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.08 -17.17 61.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 1.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' ALA . 1.8 m -72.09 -33.35 67.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 110.366 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.523 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -39.54 -62.55 0.67 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 1.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 89.95 -35.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 1.0 109.347 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.72 125.35 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 1.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.21 -178.18 29.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.125 . . . . 1.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.93 15.57 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 1.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -135.87 39.47 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 1.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -134.68 149.29 50.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 1.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 39.8 tp -106.58 40.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -132.42 -37.29 1.08 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.967 -1.015 . . . . 1.0 109.829 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -86.58 -4.45 59.17 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 118.843 -0.599 . . . . 1.0 109.782 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.4 m -115.58 2.58 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 1.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.436 HG12 ' CE1' ' A' ' 69' ' ' HIS . 2.3 t -100.47 -49.71 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 1.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.676 ' O ' ' C ' ' A' ' 70' ' ' ALA . 22.4 m80 -94.46 -79.7 0.42 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.76 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.676 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 14.56 90.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 1.0 109.275 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.37 21.8 5.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 1.0 110.33 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.72 -164.61 25.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 1.0 111.042 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.78 105.07 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.75 . . . . 1.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.507 ' CD1' ' CB ' ' A' ' 70' ' ' ALA . 74.7 mt -114.19 172.68 6.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 1.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -51.28 63.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 1.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.476 ' CE1' ' CG ' ' A' ' 35' ' ' HIS . 8.9 m80 -107.33 -139.37 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 1.0 109.604 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.3 m -126.23 103.97 7.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -65.13 167.09 8.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 1.0 110.007 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 14.7 m -62.43 -66.15 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 1.0 108.322 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.76 -21.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 1.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -65.5 -70.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 1.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.2 t -50.13 -57.81 6.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 1.0 108.321 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.412 ' ND1' ' HB3' ' A' ' 97' ' ' LEU . 11.7 m170 -42.46 -31.34 0.42 Allowed 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 114.979 -1.01 . . . . 1.0 109.791 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 0.8 OUTLIER -58.4 -47.0 85.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 1.0 110.005 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.43 -38.84 74.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.463 HG11 ' CD1' ' A' ' 97' ' ' LEU . 72.2 t -53.89 -37.63 34.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.132 . . . . 1.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 79.5 t -55.18 -23.8 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 1.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.323 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.296 -0.631 . . . . 1.0 109.296 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.463 ' CD1' HG11 ' A' ' 86' ' ' VAL . 12.1 mt -107.74 -26.77 10.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 1.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.2 p -125.32 56.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 1.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -116.57 128.38 7.91 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 1.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.1 m -72.32 -31.54 65.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.32 -0.993 . . . . 1.0 108.32 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -149.77 172.63 14.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 1.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 44.68 41.52 5.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 1.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.9 p -124.71 -162.39 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 1.0 109.961 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -94.3 8.72 40.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 1.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.402 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.6 OUTLIER -122.41 -53.23 1.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 1.0 108.321 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -112.28 65.79 0.78 Allowed Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.775 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.402 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 58.7 Cg_endo . . . . . 0 N--CA 1.448 -1.198 0 C-N-CA 124.334 3.356 . . . . 1.0 109.546 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.286 -0.635 . . . . 1.0 109.286 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.1 p -62.94 121.4 68.44 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 1.0 109.306 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -76.2 125.46 8.54 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.336 3.357 . . . . 1.0 109.555 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -87.57 11.46 14.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 1.0 109.267 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.06 88.87 23.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -41.2 144.01 0.67 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.344 3.362 . . . . 1.0 109.553 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.68 146.27 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 1.0 109.341 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.92 141.48 32.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 1.0 110.354 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 18' ' ' VAL . 13.4 t -118.45 79.3 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 1.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -65.61 98.44 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 1.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.61 -148.5 1.6 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 1.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -65.86 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 1.0 110.015 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -143.15 45.19 1.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 1.0 110.281 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.83 133.13 6.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 1.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.0 m -95.3 126.82 40.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 1.0 110.43 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 11' ' ' VAL . 40.5 t -132.69 125.99 53.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 1.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -105.48 134.56 48.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 1.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.419 ' CE1' ' ND1' ' A' ' 25' ' ' HIS . 19.2 t80 -113.22 124.46 31.42 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 1.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.518 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 34.2 Cg_endo -87.54 138.77 4.67 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.335 3.357 . . . . 1.0 109.59 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' HIS . 4.8 m80 -87.18 -34.06 19.15 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 124.116 0.885 . . . . 1.0 109.736 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.689 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -47.74 -55.23 18.04 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 1.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.689 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 27.8 Cg_exo -64.57 -5.35 9.97 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.33 3.354 . . . . 1.0 109.609 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' HIS . 72.6 m80 -134.39 40.16 3.02 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.149 0.906 . . . . 1.0 109.759 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.21 9.7 38.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -121.99 -3.2 9.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.4 t -102.5 124.62 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 1.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -43.7 127.23 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 1.0 110.307 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.4 m -45.74 -60.36 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 1.0 108.303 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' CYS . 4.0 t -40.53 -51.86 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 1.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 31' ' ' VAL . 3.5 m -37.5 -31.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 110.372 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -110.99 -50.89 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 1.0 108.323 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -85.88 73.8 10.28 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.746 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -50.45 160.33 0.41 Allowed 'General case' 0 CA--C 1.539 0.538 0 O-C-N 124.131 0.895 . . . . 1.0 109.739 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.482 ' N ' ' CD2' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -83.65 152.34 24.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 1.0 109.311 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.8 t -122.03 111.66 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 1.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 52.39 40.62 29.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 1.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.82 33.21 62.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 1.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -129.27 109.27 10.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 1.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -45.28 122.06 3.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 1.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.424 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 12.0 t -135.17 158.43 44.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 1.0 109.997 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.424 ' CD1' ' C ' ' A' ' 42' ' ' SER . 75.9 m-85 -152.45 56.17 0.81 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.044 -0.98 . . . . 1.0 109.819 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -110.32 151.03 27.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 1.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -53.31 153.32 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 1.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.9 m -53.44 -35.91 61.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 1.0 108.344 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.61 56.45 1.95 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.116 . . . . 1.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.8 t -104.91 166.83 10.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 1.0 109.965 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.1 p -51.66 121.38 6.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 1.0 109.99 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.61 55.57 24.41 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.535 1.147 . . . . 1.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.1 m -149.3 -142.9 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.354 -0.98 . . . . 1.0 108.354 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -92.25 84.6 5.24 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.026 -0.988 . . . . 1.0 109.758 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 14.6 p-10 -132.64 61.27 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.34 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -159.94 98.04 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 1.0 109.341 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.414 ' CD2' ' HB3' ' A' ' 64' ' ' LEU . 3.6 mm? -91.04 15.86 10.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 1.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -105.4 -43.48 4.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 1.0 110.389 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.539 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -37.75 -55.91 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 1.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.539 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER 90.5 -37.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 1.0 109.279 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -153.83 134.54 13.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 1.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 140.01 -177.9 20.23 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 1.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -85.33 15.68 4.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 1.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -133.64 38.54 3.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 1.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 t -135.39 142.89 45.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 1.0 110.015 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.414 ' HB3' ' CD2' ' A' ' 55' ' ' LEU . 44.6 tp -102.46 39.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 1.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.432 ' CE2' ' HE2' ' A' ' 58' ' ' LYS . 5.5 t80 -131.73 -35.31 1.28 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.835 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -88.02 -1.15 57.82 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.933 -0.556 . . . . 1.0 109.817 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.2 m -119.0 2.0 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 1.0 109.29 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.429 HG11 ' CE1' ' A' ' 69' ' ' HIS . 2.2 t -100.75 -48.68 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 1.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.676 ' O ' ' C ' ' A' ' 70' ' ' ALA . 27.3 m80 -94.53 -79.86 0.41 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.737 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.676 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 13.94 87.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 1.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.401 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -89.26 21.48 3.25 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.49 1.119 . . . . 1.0 110.279 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.93 -168.85 26.18 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 1.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -77.75 104.11 8.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 1.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.465 HD13 ' CB ' ' A' ' 70' ' ' ALA . 69.2 mt -110.5 166.15 11.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 1.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -31.38 23.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 1.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -124.0 -145.27 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.152 . . . . 1.0 109.589 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.7 m -124.36 104.89 9.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 1.0 110.403 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -68.8 166.51 17.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 1.0 109.988 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.41 ' C ' ' N ' ' A' ' 81' ' ' ALA . 17.4 m -61.53 -66.99 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 1.0 108.325 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 80' ' ' LEU . 1.3 mm? -47.89 -22.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 1.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.423 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -63.82 -70.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 1.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 85' ' ' LYS . 49.7 t -49.59 -59.7 3.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 1.0 108.296 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -40.29 -28.01 0.05 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.049 -0.978 . . . . 1.0 109.775 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 4.6 t -65.27 -50.77 64.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 1.0 109.986 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 82' ' ' CYS . 0.0 OUTLIER -66.09 -38.96 89.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 1.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 44.4 t -55.85 -46.15 79.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 69.6 t -55.6 -27.03 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 1.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 1.0 109.268 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.285 -0.635 . . . . 1.0 109.285 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.7 mt -109.08 -25.26 10.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 1.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.9 p -129.17 36.69 4.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 1.0 110.404 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.09 130.67 10.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.109 . . . . 1.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 74.8 m -69.3 -29.86 67.81 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.298 -1.001 . . . . 1.0 108.298 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -140.0 173.13 11.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 1.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.6 mttt 44.31 46.41 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 1.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 71.7 p -129.99 -174.91 3.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 1.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -85.72 -6.24 59.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 1.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.1 m -104.51 -46.25 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 1.0 108.327 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -123.4 81.76 53.07 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 114.993 -1.003 . . . . 1.0 109.776 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo . . . . . 0 N--CA 1.447 -1.254 0 C-N-CA 124.336 3.357 . . . . 1.0 109.565 179.927 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.9 p -58.85 121.79 57.11 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 1.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.38 125.51 9.12 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.338 3.359 . . . . 1.0 109.622 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -87.67 11.79 14.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 1.0 109.344 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.28 88.18 22.24 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 1.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -41.3 143.24 0.84 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.342 3.361 . . . . 1.0 109.601 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.32 147.85 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 109.317 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.38 142.87 31.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 1.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' VAL . 19.3 t -117.32 71.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 1.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -59.34 95.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 1.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.71 -146.51 0.7 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 1.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.402 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -56.62 -65.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 1.0 110.007 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.91 44.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 1.0 110.248 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.39 132.94 7.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 1.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.7 m -97.61 121.21 39.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 1.0 110.394 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 11' ' ' VAL . 47.2 t -127.57 126.19 66.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 1.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.0 ptp -103.41 134.13 47.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.429 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 21.1 t80 -112.73 124.92 30.78 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 1.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.52 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 32.9 Cg_endo -87.59 138.38 4.49 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.385 3.39 . . . . 1.0 109.57 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.408 ' O ' ' N ' ' A' ' 25' ' ' HIS . 4.5 m80 -87.92 -32.62 18.83 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 124.159 0.912 . . . . 1.0 109.76 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.684 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -48.74 -55.0 22.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.684 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 27.0 Cg_exo -64.75 -5.49 10.52 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.305 3.337 . . . . 1.0 109.619 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.429 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 70.1 m80 -133.91 39.13 3.16 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 124.105 0.878 . . . . 1.0 109.771 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.5 6.1 44.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 1.0 110.296 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.15 -19.77 10.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 1.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -86.46 125.13 40.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 1.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.4 133.89 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 1.0 110.3 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' VAL . 8.2 m -48.85 -61.77 1.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 1.0 108.293 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' CYS . 2.6 t -39.9 -51.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 1.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' VAL . 2.3 m -37.39 -35.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 1.0 110.432 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -107.43 -52.35 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 1.0 108.306 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -84.94 72.42 10.8 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.779 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.672 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 2.2 p80 -47.78 160.68 0.12 Allowed 'General case' 0 CA--C 1.54 0.567 0 O-C-N 124.13 0.894 . . . . 1.0 109.756 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.65 154.92 24.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 1.0 109.355 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.9 t -125.03 112.6 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 1.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 54.74 40.33 31.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 1.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.78 32.4 61.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 1.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.92 102.75 5.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 1.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -43.96 129.56 5.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.458 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 41.4 t -146.68 157.68 43.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 1.0 110.008 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 42' ' ' SER . 29.5 m-85 -143.32 56.77 1.38 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.827 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' LYS . . . -96.93 149.23 22.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 1.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' ALA . 17.5 tttt -40.01 149.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 1.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -47.51 -38.06 13.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 1.0 108.29 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.32 63.85 0.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.1 . . . . 1.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' SER . 28.1 t -97.83 167.56 10.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 1.0 110.035 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' SER . 1.6 t -39.14 123.52 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 1.0 110.033 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.06 55.31 31.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 1.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 14.2 m -146.13 -145.76 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.277 -1.009 . . . . 1.0 108.277 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -94.73 82.15 3.89 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.94 -1.027 . . . . 1.0 109.77 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -134.05 54.33 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 1.0 109.283 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -158.41 93.08 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 1.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 14' ' ' SER . 5.2 mp -89.79 14.38 12.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 1.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.0 m -71.47 -20.82 62.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 1.0 110.436 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.97 161.67 14.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 1.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.443 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -101.83 -4.69 25.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 1.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -171.79 132.75 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 150.25 157.89 7.96 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 1.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.64 -27.27 48.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 0.776 . . . . 1.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 54' ' ' ASP . 0.5 OUTLIER -94.67 33.13 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 1.0 109.268 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.4 t -131.76 137.08 48.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 1.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' A' ' 64' ' ' LEU . 48.2 tp -99.74 36.66 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.443 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 5.8 t80 -129.28 -34.71 1.83 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.949 -1.023 . . . . 1.0 109.814 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.621 ' O ' ' CD2' ' A' ' 66' ' ' TYR . 67.2 t80 -88.92 10.58 20.84 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.895 -0.574 . . . . 1.0 109.819 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.8 m -131.43 9.34 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 1.0 109.31 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.1 t -115.74 -49.02 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 1.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.697 ' O ' ' C ' ' A' ' 70' ' ' ALA . 48.4 m80 -89.48 -63.77 1.24 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 114.944 -1.026 . . . . 1.0 109.76 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.697 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . -6.19 109.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 1.0 109.307 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -103.83 17.5 23.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 1.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.54 -179.47 32.27 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.528 1.142 . . . . 1.0 111.031 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -71.55 94.23 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 1.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.451 HD12 ' CB ' ' A' ' 70' ' ' ALA . 44.7 mt -98.12 155.75 16.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 1.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -43.03 -28.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 1.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.672 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 8.9 m-70 -124.87 -142.63 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 1.0 109.621 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.9 m -131.18 106.24 8.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 110.38 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -67.01 166.47 13.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 1.0 109.968 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.4 ' C ' ' N ' ' A' ' 81' ' ' ALA . 13.8 m -62.17 -67.1 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 1.0 108.288 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -48.0 -23.26 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 1.0 109.338 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -64.19 -70.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 1.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 46.0 t -50.51 -55.52 15.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 1.0 108.328 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -45.25 -25.65 0.4 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.975 -1.011 . . . . 1.0 109.724 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 2.5 t -61.18 -48.94 79.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 109.999 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -69.44 -37.14 77.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 1.0 109.272 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.469 HG13 ' CD1' ' A' ' 97' ' ' LEU . 85.4 t -56.57 -42.14 75.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 1.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.2 t -54.47 -23.06 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 1.0 109.36 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.334 -0.617 . . . . 1.0 109.334 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.469 ' CD1' HG13 ' A' ' 86' ' ' VAL . 17.6 mt -111.59 -33.38 6.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.8 p -127.48 57.02 1.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 1.0 110.379 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -116.97 126.55 7.02 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 1.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.9 m -70.75 -30.21 66.66 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -147.67 163.66 35.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 1.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt 50.8 57.09 7.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 1.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.9 p -140.97 -153.56 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 1.0 109.971 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.61 16.11 24.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 1.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.23 -51.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.179 . . . . 1.0 108.29 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -118.72 82.65 20.64 Favored Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.755 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo . . . . . 0 N--CA 1.448 -1.204 0 C-N-CA 124.326 3.351 . . . . 1.0 109.598 179.867 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.31 -0.626 . . . . 1.0 109.31 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.5 p -46.77 121.83 6.91 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 1.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -75.95 127.02 9.75 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.343 3.362 . . . . 1.0 109.589 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -87.98 11.06 16.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 1.0 109.313 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 92.06 27.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 1.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.464 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 12.6 Cg_exo -40.94 140.69 1.1 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.278 3.319 . . . . 1.0 109.614 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.02 147.32 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.0 109.284 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.4 ' O ' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -82.05 141.53 33.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 110.264 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLY . 33.9 t -119.87 68.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 1.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.55 80.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 1.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' VAL . . . -55.73 -109.87 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.113 . . . . 1.0 111.036 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.69 -65.37 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 1.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.97 -60.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 1.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 137.02 57.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 1.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.3 m -97.84 133.61 42.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 1.0 110.38 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.9 t -136.03 127.79 44.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 1.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.5 130.84 55.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 1.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.458 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 19.5 t80 -106.41 125.65 32.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 1.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.522 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 29.8 Cg_endo -88.85 139.42 3.83 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.29 3.326 . . . . 1.0 109.626 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' HIS . 7.5 m80 -87.54 -33.6 18.88 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 124.164 0.915 . . . . 1.0 109.787 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.681 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -48.23 -54.8 22.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.681 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 38.3 Cg_exo -63.85 -6.35 10.77 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.357 3.372 . . . . 1.0 109.597 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.458 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 65.1 m80 -134.13 41.26 2.99 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 124.185 0.928 . . . . 1.0 109.793 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.24 5.84 46.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 1.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.98 -21.81 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 1.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.6 t -84.89 125.26 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 1.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.43 ' HB2' ' OG1' ' A' ' 32' ' ' THR . 6.9 mm-40 -50.11 137.73 17.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 1.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' VAL . 4.0 m -50.94 -58.33 6.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 1.0 108.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' CYS . 3.6 p -37.33 -50.02 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 1.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 31' ' ' VAL . 1.9 m -35.96 -53.11 0.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 1.0 110.363 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 m -92.29 -54.72 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 1.0 108.288 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.403 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.1 m-70 -82.08 67.95 8.28 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.768 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -48.14 160.37 0.15 Allowed 'General case' 0 CA--C 1.539 0.537 0 O-C-N 124.191 0.932 . . . . 1.0 109.801 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.23 150.96 28.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 1.0 109.278 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.1 t -122.85 112.67 34.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 1.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t0 54.09 40.78 31.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 1.0 109.254 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.11 34.69 62.68 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 1.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -133.77 102.13 5.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 1.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.2 128.19 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 1.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.461 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 30.9 t -140.97 156.47 46.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 1.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 42' ' ' SER . 49.4 m-85 -147.16 56.44 1.12 Allowed 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.834 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.47 145.51 26.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.409 ' C ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -39.84 144.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 1.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.35 -24.86 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 1.0 108.282 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 45' ' ' LYS . . . -116.07 65.17 0.32 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 1.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -105.53 168.88 8.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.76 . . . . 1.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.0 m -59.31 135.36 57.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 1.0 109.997 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.75 38.98 96.99 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 1.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 13.8 m -144.25 -145.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.32 -0.993 . . . . 1.0 108.32 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -92.71 78.72 4.81 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.767 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -125.28 57.27 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 1.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.442 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.4 OUTLIER -153.04 91.42 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 1.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.47 -10.29 56.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 1.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 m -71.63 -15.75 62.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 1.0 110.356 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.02 161.33 17.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 1.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.558 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -110.37 -15.45 13.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 1.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -174.12 138.59 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 1.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 146.3 157.26 7.24 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.595 1.185 . . . . 1.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -18.38 11.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 0.791 . . . . 1.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 2.6 mttp -105.25 35.02 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 1.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -131.75 134.19 45.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.158 . . . . 1.0 110.013 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 42.0 tp -95.59 34.42 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 1.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 2.3 t80 -127.1 -33.33 2.43 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.974 -1.012 . . . . 1.0 109.829 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -87.61 -2.75 58.83 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 118.882 -0.58 . . . . 1.0 109.84 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.3 m -119.57 5.24 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 1.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 t -106.17 -44.17 7.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 1.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.694 ' O ' ' C ' ' A' ' 70' ' ' ALA . 47.0 m80 -97.15 -81.72 0.42 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.044 -0.98 . . . . 1.0 109.795 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.694 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 10.73 90.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 1.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.16 24.78 2.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 1.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.05 -165.49 24.92 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 1.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -81.56 98.62 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 1.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.477 HD12 ' CB ' ' A' ' 70' ' ' ALA . 75.9 mt -105.36 157.93 16.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -42.87 -36.19 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -117.41 -142.14 0.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 1.0 109.623 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.5 m -128.7 103.97 7.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 1.0 110.434 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -67.41 167.36 12.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 1.0 110.029 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 12.8 m -62.14 -65.87 0.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 1.0 108.3 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.6 OUTLIER -49.5 -22.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 1.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.8 -69.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 109.27 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 85' ' ' LYS . 51.5 t -51.15 -60.57 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 1.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -39.78 -33.01 0.17 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.743 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.09 -46.73 84.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 1.0 110.022 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 82' ' ' CYS . 0.8 OUTLIER -68.75 -36.82 78.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 1.0 109.283 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.469 HG12 ' CD1' ' A' ' 97' ' ' LEU . 92.8 t -59.2 -41.87 85.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 1.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.9 t -54.88 -25.03 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 1.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 1.0 109.302 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.295 -0.631 . . . . 1.0 109.295 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.469 ' CD1' HG12 ' A' ' 86' ' ' VAL . 10.3 mt -106.58 -30.17 9.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 1.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 44.2 p -109.8 -143.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 1.0 110.412 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 64.18 133.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.52 1.137 . . . . 1.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.4 m -74.58 -29.92 61.51 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.286 -1.005 . . . . 1.0 108.286 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.86 166.52 22.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 1.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.29 44.79 24.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 1.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.2 p -130.08 -179.58 5.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 1.0 110.028 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.73 3.59 50.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 1.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.443 ' C ' ' CD ' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -109.06 -49.54 3.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 1.0 108.3 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.48 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 90.0 m-70 -118.05 55.59 2.16 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 115.068 -0.969 . . . . 1.0 109.771 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 106' ' ' HIS . 38.4 Cg_endo . . . . . 0 N--CA 1.447 -1.215 0 C-N-CA 124.359 3.372 . . . . 1.0 109.56 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.344 -0.613 . . . . 1.0 109.344 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.6 p -62.49 123.29 78.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 1.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -72.03 126.78 12.15 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.286 3.324 . . . . 1.0 109.617 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -76.62 -1.84 29.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 1.0 109.282 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -110.9 148.46 38.66 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 1.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -79.37 142.13 16.44 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.3 3.333 . . . . 1.0 109.584 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 m -105.05 142.72 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 1.0 109.366 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.49 141.03 34.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 1.0 110.273 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.4 t -122.46 69.53 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -52.65 103.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 1.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.17 -149.61 7.79 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.539 1.149 . . . . 1.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -67.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 1.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.04 43.74 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 110.25 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.27 137.56 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 1.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.5 m -98.53 128.11 44.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 1.0 110.41 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.7 t -131.28 125.92 57.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 1.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -101.88 130.44 48.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 1.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -112.5 123.01 34.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 1.0 110.996 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.52 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 35.1 Cg_endo -87.22 137.49 4.41 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.345 3.364 . . . . 1.0 109.56 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 25' ' ' HIS . 4.8 m80 -88.03 -32.84 18.59 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.189 0.931 . . . . 1.0 109.753 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.677 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -47.53 -55.19 17.6 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 1.0 109.294 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.677 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 24.3 Cg_exo -64.94 -4.6 9.13 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.315 3.343 . . . . 1.0 109.622 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' HIS . 70.6 m80 -133.47 38.39 3.28 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.178 0.924 . . . . 1.0 109.756 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.541 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 6.6 tt0 -102.08 8.4 40.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.0 110.307 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.56 -5.64 10.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 1.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.8 t -103.71 117.23 48.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 1.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -39.18 137.67 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 1.0 110.276 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 31' ' ' VAL . 5.3 m -51.93 -61.91 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 1.0 108.289 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' CYS . 2.9 p -38.73 -55.71 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 1.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 31' ' ' VAL . 7.9 m -34.77 -35.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.0 110.394 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -106.16 -54.79 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 1.0 108.322 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -83.33 68.66 9.77 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.986 -1.006 . . . . 1.0 109.776 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.546 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 2.1 p80 -40.39 159.18 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.1 0.875 . . . . 1.0 109.75 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.79 152.17 24.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 1.0 109.31 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.3 t -121.58 111.71 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 1.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.16 40.47 31.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 1.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.42 33.42 66.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 1.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.18 101.99 5.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 1.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -43.71 130.48 5.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 1.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.414 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 10.6 t -146.03 154.2 41.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.996 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.414 ' CD1' ' C ' ' A' ' 42' ' ' SER . 23.4 m-85 -140.39 54.75 1.61 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.891 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.455 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -92.13 145.3 24.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 1.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.403 ' C ' ' N ' ' A' ' 47' ' ' GLY . 2.5 ttmt -39.84 143.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 1.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -47.84 -27.06 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 1.0 108.299 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 45' ' ' LYS . . . -118.38 67.39 0.35 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.437 1.086 . . . . 1.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.455 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 27.2 t -107.04 165.87 11.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 1.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 m -51.73 136.06 28.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 1.0 110.041 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.41 41.84 98.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.416 1.072 . . . . 1.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.5 m -143.77 -143.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -93.19 82.79 4.56 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.064 -0.971 . . . . 1.0 109.736 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -129.5 55.67 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 109.273 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.5 OUTLIER -153.65 97.9 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 1.0 109.268 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 mt -95.08 18.65 11.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 1.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -108.56 -46.99 3.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 1.0 110.394 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.528 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -37.78 -59.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 1.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.1 OUTLIER 90.33 -37.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 1.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -143.14 128.63 19.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 1.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 145.22 178.44 20.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.477 1.111 . . . . 1.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -88.94 20.81 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 0.788 . . . . 1.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 11.1 mtmt -137.38 46.11 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 1.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 t -136.75 148.14 47.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 1.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.3 tp -105.32 40.3 1.56 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 1.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -132.77 -36.29 1.06 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.853 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.401 ' O ' ' CD2' ' A' ' 66' ' ' TYR . 81.2 t80 -88.25 2.19 52.86 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 118.883 -0.58 . . . . 1.0 109.813 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.2 m -121.77 5.12 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 1.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.1 t -105.61 -49.42 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 1.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.68 ' O ' ' C ' ' A' ' 70' ' ' ALA . 29.2 m80 -92.71 -79.63 0.39 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.997 -1.001 . . . . 1.0 109.721 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.68 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 13.08 90.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 1.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -90.54 26.72 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 1.0 110.335 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.27 -170.35 19.81 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 1.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.54 108.53 7.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 0.727 . . . . 1.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.469 HD13 ' CB ' ' A' ' 70' ' ' ALA . 80.1 mt -116.64 155.57 28.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 1.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -39.98 -30.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 1.0 109.317 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.546 ' CD2' ' HB3' ' A' ' 35' ' ' HIS . 12.0 t60 -126.17 -141.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 1.0 109.649 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.4 m -128.24 104.34 7.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 1.0 110.385 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -66.58 166.18 13.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 109.995 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.413 ' C ' ' N ' ' A' ' 81' ' ' ALA . 12.2 m -60.47 -67.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.0 108.272 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.68 -22.52 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 1.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -65.21 -70.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 1.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 85' ' ' LYS . 51.8 t -48.81 -61.54 1.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 1.0 108.334 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.423 ' ND1' ' HB3' ' A' ' 97' ' ' LEU . 11.9 m170 -38.85 -29.01 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.749 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.432 ' OG ' ' NE ' ' A' ' 71' ' ' ARG . 2.7 t -68.11 -51.9 41.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 1.0 110.032 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 82' ' ' CYS . 7.1 mmtt -63.35 -32.62 74.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 1.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.7 t -65.86 -55.17 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 1.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.4 t -54.41 -28.54 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 1.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 1.0 109.27 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.409 ' C ' ' HG ' ' A' ' 97' ' ' LEU . 3.2 m-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.297 -0.631 . . . . 1.0 109.297 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.496 ' C ' ' CG2' ' A' ' 98' ' ' THR . 1.9 mt 68.47 4.52 4.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 1.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.496 ' CG2' ' C ' ' A' ' 97' ' ' LEU . 5.6 p -153.15 23.11 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 1.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.21 131.45 10.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 1.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 72.6 m -68.98 -28.87 67.01 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.296 -1.002 . . . . 1.0 108.296 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -147.16 171.51 15.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 1.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 106' ' ' HIS . 0.1 OUTLIER 41.04 45.96 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 1.0 109.253 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.5 t -126.26 -164.4 1.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 1.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.96 6.36 42.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 1.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -123.24 -54.15 1.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 1.0 108.25 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 102' ' ' LYS . 92.2 m-70 -110.53 77.67 1.33 Allowed Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 115.017 -0.992 . . . . 1.0 109.785 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo . . . . . 0 N--CA 1.447 -1.248 0 C-N-CA 124.35 3.366 . . . . 1.0 109.592 179.858 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.314 -0.624 . . . . 1.0 109.314 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.5 p -59.72 113.06 6.27 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.259 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -48.01 127.78 15.42 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.308 3.338 . . . . 1.0 109.611 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -88.03 3.77 47.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 1.0 109.312 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -123.07 96.23 44.98 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 1.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -38.64 146.91 0.13 Allowed 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.336 3.357 . . . . 1.0 109.549 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.72 147.43 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 1.0 109.288 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.05 141.95 28.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 1.0 110.318 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.5 t -118.07 83.67 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 1.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -71.36 92.1 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 1.0 109.35 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.06 -146.44 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 1.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.424 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -54.24 -65.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 1.0 109.996 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -146.12 44.19 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 1.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.18 124.77 4.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 1.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.2 m -90.53 129.09 36.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 1.0 110.379 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.5 t -135.23 125.36 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 1.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.2 mtm -96.71 137.73 35.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 1.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.609 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 6.2 t80 -123.34 97.77 42.23 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 1.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.545 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 16.5 Cg_exo -66.88 138.96 50.16 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.306 3.338 . . . . 1.0 109.581 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -84.45 -23.91 29.75 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 124.135 0.897 . . . . 1.0 109.747 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.664 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -50.35 -55.62 24.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 1.0 109.267 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.664 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 25.7 Cg_exo -63.12 -7.11 11.01 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.311 3.341 . . . . 1.0 109.601 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.437 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 51.2 m80 -132.62 40.57 3.26 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 124.174 0.921 . . . . 1.0 109.741 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.25 5.2 44.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 1.0 110.315 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -118.29 -18.29 9.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 1.0 109.279 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 t -85.38 128.8 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 1.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.46 136.92 19.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 1.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' VAL . 6.8 m -54.21 -63.58 1.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 1.0 108.305 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 33' ' ' CYS . 7.5 p -38.9 -55.39 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 1.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' VAL . 10.1 m -35.2 -35.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 1.0 110.366 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -105.45 -55.03 2.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.175 . . . . 1.0 108.286 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -81.82 76.42 8.72 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.74 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.589 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 2.6 p80 -51.78 159.13 0.86 Allowed 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.141 0.901 . . . . 1.0 109.755 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.01 151.2 23.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 1.0 109.302 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.2 t -116.12 110.76 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 52.0 40.0 27.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 1.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.16 31.29 76.33 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 1.0 110.991 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.73 100.26 6.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 1.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -50.17 119.94 4.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 1.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.2 t -143.68 159.36 42.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 1.0 110.014 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -139.33 55.03 1.69 Allowed 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.821 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.2 147.75 24.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 1.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.53 149.98 9.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 1.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.6 m -51.19 -31.78 21.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 1.0 108.296 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -95.07 55.11 1.83 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.463 1.102 . . . . 1.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.6 t -107.68 168.16 9.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 1.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.41 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 2.7 m -48.38 126.54 11.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 1.0 109.972 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 54.96 55.25 28.88 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 1.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 49' ' ' SER . 14.4 m -145.48 -145.5 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.278 -1.008 . . . . 1.0 108.278 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -94.88 87.45 4.98 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.731 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -138.73 54.62 1.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 1.0 109.324 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -152.8 99.88 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 1.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -92.81 17.73 10.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 1.0 109.339 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.5 -47.69 3.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 1.0 110.345 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -39.24 -61.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 1.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 90.48 -31.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 1.0 109.314 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -143.75 139.77 29.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.157 . . . . 1.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 123.4 178.83 15.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 1.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.07 15.86 3.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 1.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 7.0 mmtt -124.56 34.18 5.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 1.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.2 t -132.17 139.98 48.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 1.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.9 tp -98.91 36.75 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 1.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -130.3 -34.33 1.63 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.007 -0.997 . . . . 1.0 109.805 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -86.97 -2.77 58.87 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 118.917 -0.563 . . . . 1.0 109.834 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.3 m -118.13 3.18 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 1.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 t -102.78 -46.12 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 1.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.668 ' O ' ' C ' ' A' ' 70' ' ' ALA . 31.3 m80 -97.34 -81.32 0.43 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.042 -0.981 . . . . 1.0 109.792 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.668 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 15.7 90.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 1.0 109.317 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.72 26.08 4.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 1.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -107.87 -159.3 20.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.449 1.093 . . . . 1.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.75 105.6 12.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 0.736 . . . . 1.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.481 HD13 ' CB ' ' A' ' 70' ' ' ALA . 81.9 mt -116.23 171.22 7.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -56.55 -50.78 70.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 1.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.589 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 6.8 m-70 -105.7 -139.34 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 1.0 109.546 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.2 m -127.61 104.67 8.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 1.0 110.373 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -66.83 166.98 12.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 1.0 110.027 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.402 ' C ' ' N ' ' A' ' 81' ' ' ALA . 11.2 m -61.36 -67.34 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 1.0 108.318 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -48.08 -23.39 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 1.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -64.24 -71.17 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 1.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 85' ' ' LYS . 54.1 t -49.9 -59.97 3.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 1.0 108.326 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.409 ' ND1' ' HB3' ' A' ' 97' ' ' LEU . 12.4 m170 -40.36 -28.47 0.06 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.021 -0.991 . . . . 1.0 109.759 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 5.3 p -58.79 -45.14 90.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 1.0 110.02 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 82' ' ' CYS . 1.5 tppp? -73.5 -40.74 63.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 1.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.458 ' CG1' HD13 ' A' ' 97' ' ' LEU . 70.0 t -51.34 -42.62 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 1.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.435 ' CG2' HG21 ' A' ' 98' ' ' THR . 56.9 t -54.91 -27.44 18.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 1.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 1.0 109.287 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.303 -0.629 . . . . 1.0 109.303 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.458 HD13 ' CG1' ' A' ' 86' ' ' VAL . 10.7 mt -106.72 -9.64 16.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.435 HG21 ' CG2' ' A' ' 87' ' ' VAL . 8.3 p -138.53 38.13 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 1.0 110.442 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.27 127.7 9.2 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 1.0 111.049 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 73.6 m -69.48 -29.47 67.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -143.42 172.58 12.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 1.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.1 pttt 41.7 36.43 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 1.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 64.2 p -114.28 -170.46 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -89.75 5.66 45.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 1.0 109.238 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.77 -53.72 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 1.0 108.303 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -112.86 65.64 0.9 Allowed Pre-proline 0 CA--C 1.54 0.576 0 CA-C-N 114.987 -1.006 . . . . 1.0 109.752 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo . . . . . 0 N--CA 1.447 -1.234 0 C-N-CA 124.348 3.365 . . . . 1.0 109.558 179.875 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -46.02 123.55 6.54 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 1.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -71.35 129.35 15.79 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.321 3.347 . . . . 1.0 109.61 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -81.8 4.09 23.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 1.0 109.296 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.72 148.07 39.0 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 1.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -79.42 137.85 13.47 Favored 'Trans proline' 0 N--CA 1.448 -1.181 0 C-N-CA 124.286 3.324 . . . . 1.0 109.596 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -101.78 131.36 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 1.0 109.294 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.22 144.99 54.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 1.0 110.269 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -125.89 72.72 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 1.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -56.46 96.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 1.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.94 -151.16 2.58 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 1.0 111.049 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.419 ' N ' HD23 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -60.19 -62.29 1.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 1.0 109.993 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -146.47 46.34 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -163.41 130.02 3.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.2 m -93.84 127.6 39.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 110.381 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.3 t -136.16 125.81 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.36 135.0 43.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 1.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -114.89 122.95 32.72 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 1.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.51 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 35.3 Cg_endo -87.54 138.53 4.58 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.3 3.333 . . . . 1.0 109.552 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 25' ' ' HIS . 4.3 m80 -87.84 -33.91 18.41 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 124.17 0.919 . . . . 1.0 109.761 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.682 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -47.17 -55.11 16.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 1.0 109.269 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.682 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 31.9 Cg_exo -64.1 -5.33 9.19 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.282 3.322 . . . . 1.0 109.583 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.462 ' N ' ' O ' ' A' ' 22' ' ' HIS . 70.7 m80 -133.85 39.15 3.17 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.148 0.905 . . . . 1.0 109.763 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.71 6.76 44.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 1.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.48 -21.29 10.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 1.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 t -85.87 124.01 39.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -46.29 134.93 8.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 1.0 110.294 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.3 m -48.05 -61.58 1.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 1.0 108.281 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 33' ' ' CYS . 62.4 t -40.38 -51.98 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 1.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' VAL . 2.3 m -37.0 -32.54 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 1.0 110.429 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -110.6 -53.69 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 1.0 108.275 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -83.97 73.02 10.4 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.027 -0.988 . . . . 1.0 109.787 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -47.66 160.34 0.12 Allowed 'General case' 0 CA--C 1.54 0.57 0 O-C-N 124.205 0.94 . . . . 1.0 109.746 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.18 155.82 22.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 1.0 109.309 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.4 t -118.4 112.49 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 1.0 109.333 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 t0 56.86 41.77 27.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 1.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.95 33.37 73.61 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.529 1.143 . . . . 1.0 111.031 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.25 126.95 27.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 1.0 109.333 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -43.23 143.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.097 . . . . 1.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.59 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -149.65 153.83 37.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 1.0 110.001 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.59 ' CD1' ' O ' ' A' ' 42' ' ' SER . 79.2 m-85 -159.47 47.93 0.3 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.99 -1.005 . . . . 1.0 109.873 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.65 147.42 26.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 109.328 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -42.65 152.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 1.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.83 -36.84 39.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 1.0 108.265 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -108.13 62.8 0.29 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.552 1.158 . . . . 1.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.2 t -98.28 167.1 11.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 1.0 110.025 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.7 p -49.3 129.36 18.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 1.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.79 48.88 82.94 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.163 . . . . 1.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.1 m -144.48 -145.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.256 -1.016 . . . . 1.0 108.256 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -89.93 76.43 7.08 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.983 -1.008 . . . . 1.0 109.78 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -127.43 57.18 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 1.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -161.54 92.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 1.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 14' ' ' SER . 9.6 mp -92.23 15.1 14.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 1.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -75.64 -17.03 60.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 1.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.08 162.24 13.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 1.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.503 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 0.2 OUTLIER -102.79 -7.64 21.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 1.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.39 134.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 1.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 151.81 157.54 7.97 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 1.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -59.59 -14.82 14.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 0.764 . . . . 1.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.53 39.62 1.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 1.0 109.252 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -135.85 140.82 44.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 1.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.8 tp -100.44 37.55 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 1.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.503 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 3.7 t80 -130.13 -33.98 1.7 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.831 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -87.77 -1.63 58.09 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 118.919 -0.562 . . . . 1.0 109.829 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.3 m -120.04 5.69 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 1.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -107.09 -43.22 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.684 ' O ' ' C ' ' A' ' 70' ' ' ALA . 40.8 m80 -98.39 -82.26 0.43 Allowed 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.005 -0.998 . . . . 1.0 109.747 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.684 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 12.68 89.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 1.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.59 21.95 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 1.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.24 -171.53 26.05 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.473 1.108 . . . . 1.0 111.029 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -75.38 103.34 5.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 0.721 . . . . 1.0 110.255 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.46 HD13 ' CB ' ' A' ' 70' ' ' ALA . 73.9 mt -109.83 160.8 16.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.81 -29.99 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 1.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -124.89 -144.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 1.0 109.589 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 22.6 m -126.09 103.97 8.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 1.0 110.351 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -68.18 166.33 16.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 1.0 110.031 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.415 ' C ' ' N ' ' A' ' 81' ' ' ALA . 7.8 m -61.42 -66.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.0 108.309 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.405 ' N ' HD21 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -48.27 -22.37 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 1.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -64.64 -70.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 1.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 84' ' ' SER . 50.7 t -50.74 -63.72 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 1.0 108.281 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -36.06 -31.43 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.975 -1.011 . . . . 1.0 109.734 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 5.1 t -55.99 -51.52 67.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 1.0 110.013 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' CYS . 1.0 OUTLIER -65.74 -36.68 84.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 1.0 109.325 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.424 ' CG1' HD11 ' A' ' 97' ' ' LEU . 87.1 t -58.95 -45.84 91.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 1.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.491 ' CG2' ' CG2' ' A' ' 98' ' ' THR . 8.7 t -54.7 -27.71 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 1.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 109.261 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.277 -0.638 . . . . 1.0 109.277 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.424 HD11 ' CG1' ' A' ' 86' ' ' VAL . 3.7 mt -100.44 -20.12 15.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 1.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.491 ' CG2' ' CG2' ' A' ' 87' ' ' VAL . 3.2 p -134.92 39.29 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 1.0 110.392 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -98.7 128.48 9.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 1.0 111.029 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 79.0 m -72.67 -30.81 64.58 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.32 -0.993 . . . . 1.0 108.32 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.423 ' C ' ' N ' ' A' ' 103' ' ' SER . . . -142.73 173.5 11.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 1.0 109.341 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.3 mttm 43.8 27.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 1.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 101' ' ' ALA . 43.5 p -106.56 -173.31 2.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 1.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.74 -7.23 58.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.093 . . . . 1.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.414 ' C ' ' CD ' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -104.51 -47.05 4.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 1.0 108.328 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.475 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 86.5 m-70 -119.92 55.77 3.76 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 115.007 -0.997 . . . . 1.0 109.748 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 106' ' ' HIS . 37.2 Cg_endo . . . . . 0 N--CA 1.447 -1.225 0 C-N-CA 124.333 3.355 . . . . 1.0 109.592 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.323 -0.621 . . . . 1.0 109.323 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.37 121.68 65.16 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 1.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -76.52 125.17 8.13 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.288 3.325 . . . . 1.0 109.569 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -85.06 8.14 19.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 1.0 109.312 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -114.52 91.0 23.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -39.95 147.27 0.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.334 3.356 . . . . 1.0 109.595 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.27 147.09 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 1.0 109.329 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.37 140.02 29.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 1.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.3 t -118.88 84.52 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 1.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt -89.54 94.4 9.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.86 -131.38 0.35 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.455 1.097 . . . . 1.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -57.96 -73.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 1.0 110.027 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.401 ' N ' ' OG ' ' A' ' 14' ' ' SER . 4.1 tt0 -145.81 46.69 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 1.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HD2' ' ND1' ' A' ' 106' ' ' HIS . 2.3 mmtt -153.25 103.95 2.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 1.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.7 m -78.38 134.19 37.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.0 110.394 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.2 t -145.41 126.9 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 1.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.34 134.26 47.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 1.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -115.28 123.73 31.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.514 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 33.5 Cg_endo -87.63 139.3 4.79 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.346 3.364 . . . . 1.0 109.619 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 25' ' ' HIS . 4.2 m80 -87.34 -33.77 19.07 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.102 0.876 . . . . 1.0 109.774 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.682 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -47.76 -54.79 20.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 1.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.682 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 37.8 Cg_exo -64.09 -5.54 9.6 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.29 3.327 . . . . 1.0 109.601 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 22' ' ' HIS . 70.1 m80 -134.6 39.65 3.01 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 124.147 0.904 . . . . 1.0 109.805 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 18.7 tt0 -100.2 4.85 44.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 1.0 110.317 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -113.69 -21.11 10.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 1.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.7 t -84.55 124.92 40.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 1.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -46.49 133.62 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 1.0 110.275 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 31' ' ' VAL . 8.4 m -48.78 -61.91 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 1.0 108.288 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 30' ' ' CYS . 5.3 p -40.14 -51.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' VAL . 2.4 m -37.45 -35.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 1.0 110.42 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -107.05 -52.33 2.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 1.0 108.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -84.78 72.78 10.7 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.008 -0.996 . . . . 1.0 109.764 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 3.2 p80 -48.87 160.23 0.2 Allowed 'General case' 0 CA--C 1.54 0.568 0 O-C-N 124.207 0.942 . . . . 1.0 109.77 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.67 152.33 22.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 1.0 109.308 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.4 t -120.65 112.65 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 1.0 109.328 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t0 55.46 41.4 30.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 1.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.3 39.69 65.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 1.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.77 105.95 6.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 1.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -46.77 124.41 6.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 1.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.584 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -141.37 165.5 27.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 1.0 110.015 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 42' ' ' SER . 54.4 m-85 -154.38 55.72 0.7 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.997 -1.001 . . . . 1.0 109.859 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.62 147.96 23.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 1.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -45.04 153.01 0.21 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 1.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -41.86 61.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 1.0 108.284 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.39 58.02 1.16 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 1.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.9 t -92.23 166.84 12.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 0.794 . . . . 1.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.402 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -56.91 135.62 55.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 1.0 110.034 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.01 39.14 89.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 1.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 49' ' ' SER . 20.8 m -135.86 -143.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.364 -0.976 . . . . 1.0 108.364 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -89.77 76.94 7.14 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.038 -0.983 . . . . 1.0 109.757 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -129.3 52.17 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 1.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -152.92 92.29 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 1.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.56 16.8 12.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 1.0 109.255 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 m -82.07 -15.49 53.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 1.0 110.433 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.41 169.02 8.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -109.29 -13.35 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 58' ' ' LYS . 10.1 mttp -162.87 135.79 5.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 1.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 145.69 157.64 7.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.444 1.09 . . . . 1.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -58.45 -18.46 28.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 1.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 1.3 mtpt -101.5 37.07 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -136.61 134.61 37.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 110.019 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.0 tp -96.44 35.91 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 1.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -128.27 -33.31 2.16 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.845 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -88.08 -1.48 58.03 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 118.874 -0.584 . . . . 1.0 109.794 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 m -120.64 4.97 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 1.0 109.291 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -104.03 -48.37 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 1.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.672 ' O ' ' C ' ' A' ' 70' ' ' ALA . 28.8 m80 -95.73 -78.62 0.45 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.987 -1.006 . . . . 1.0 109.77 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.672 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 14.66 90.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 109.307 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.481 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -96.54 26.56 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 1.0 110.282 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.02 -152.3 16.76 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.488 1.117 . . . . 1.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -88.99 104.95 17.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 0.752 . . . . 1.0 110.331 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.537 ' CD1' ' CB ' ' A' ' 70' ' ' ALA . 73.0 mt -114.81 176.54 5.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 1.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -50.44 73.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 1.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 7.4 m-70 -106.99 -140.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 1.0 109.599 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.8 m -126.07 104.56 8.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 1.0 110.394 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -66.08 167.01 10.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 1.0 110.041 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.403 ' C ' ' N ' ' A' ' 81' ' ' ALA . 13.2 m -61.51 -67.09 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 1.0 108.286 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -48.38 -22.45 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 1.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -65.51 -72.0 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 1.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 48.1 t -47.77 -57.44 5.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 1.0 108.323 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.467 ' O ' ' CG2' ' A' ' 87' ' ' VAL . 12.7 m170 -42.63 -37.21 1.63 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.021 -0.99 . . . . 1.0 109.724 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.415 ' OG ' ' NE ' ' A' ' 71' ' ' ARG . 8.6 t -64.28 -47.03 81.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 1.0 109.953 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -66.14 -42.09 89.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 1.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.3 t -55.7 -37.36 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 1.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 83' ' ' HIS . 57.3 t -55.53 -26.34 19.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 1.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 109.298 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.7 mt -95.4 -17.31 21.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 1.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.3 p -136.42 37.74 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 1.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.31 128.6 9.62 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.508 1.13 . . . . 1.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 84.5 m -69.32 -27.94 65.81 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -146.66 172.18 13.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 1.0 109.252 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 mttt 42.29 43.18 2.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 1.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.3 p -123.32 -162.08 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 1.0 110.028 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -96.07 10.64 36.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 1.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -124.93 -53.11 1.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 108.277 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.402 ' ND1' ' HD2' ' A' ' 16' ' ' LYS . 92.9 m-70 -112.15 66.51 0.79 Allowed Pre-proline 0 CA--C 1.54 0.561 0 CA-C-N 115.03 -0.987 . . . . 1.0 109.78 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo . . . . . 0 N--CA 1.447 -1.223 0 C-N-CA 124.325 3.35 . . . . 1.0 109.552 179.935 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.67 121.96 64.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 1.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -75.51 125.5 9.03 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.316 3.344 . . . . 1.0 109.59 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -86.46 9.05 19.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 1.0 109.314 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 pttp -116.16 88.49 22.64 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 1.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.4 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 13.1 Cg_exo -41.68 147.8 0.37 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.335 3.357 . . . . 1.0 109.558 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.42 148.82 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 109.284 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.83 144.76 27.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 1.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.2 t -122.06 86.07 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 1.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -87.24 89.41 7.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 1.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.81 -134.91 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 1.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.27 -68.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.794 . . . . 1.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -149.51 48.43 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 1.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.558 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 1.3 tptm -156.2 95.97 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 1.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.3 m -73.49 134.1 43.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 1.0 110.442 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.6 t -150.18 127.49 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 1.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -101.01 139.95 35.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 1.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -117.45 123.01 30.28 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 1.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.515 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 32.7 Cg_endo -88.17 139.57 4.44 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.318 3.345 . . . . 1.0 109.563 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 25' ' ' HIS . 4.3 m80 -87.82 -33.77 18.49 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 124.106 0.879 . . . . 1.0 109.756 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.684 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -47.86 -54.88 20.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 1.0 109.267 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.684 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 36.5 Cg_exo -63.79 -6.09 10.17 Favored 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 124.303 3.335 . . . . 1.0 109.574 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 22' ' ' HIS . 69.9 m80 -133.55 40.4 3.14 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 124.156 0.91 . . . . 1.0 109.817 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.7 9.01 41.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 1.0 110.346 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.62 -3.05 8.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 1.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.0 t -101.98 122.6 54.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 1.0 109.286 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.31 129.6 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 1.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.9 m -47.15 -60.58 2.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 1.0 108.244 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 33' ' ' CYS . 7.3 p -40.34 -52.04 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 1.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 31' ' ' VAL . 3.3 m -37.1 -32.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 1.0 110.424 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -110.81 -52.47 2.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 1.0 108.29 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -85.15 73.47 10.62 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.786 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -49.56 160.61 0.26 Allowed 'General case' 0 CA--C 1.54 0.567 0 O-C-N 124.1 0.875 . . . . 1.0 109.723 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.02 148.75 26.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 1.0 109.232 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.7 t -116.36 112.81 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 1.0 109.332 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 52.5 40.67 30.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 1.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.61 38.54 82.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 1.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.05 103.04 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 1.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -44.27 122.87 3.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 1.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.4 t -142.4 159.22 42.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 1.0 110.004 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -142.63 56.55 1.43 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.841 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.465 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -95.47 147.28 23.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 1.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.71 155.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 1.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.434 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . 1.1 m -50.48 -33.6 21.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 1.0 108.306 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.72 65.05 0.28 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.106 . . . . 1.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.465 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 26.7 t -99.23 168.46 10.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 1.0 110.039 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.6 m -46.36 116.72 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.0 109.964 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.65 58.05 10.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 1.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.1 m -149.58 -144.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.302 -0.999 . . . . 1.0 108.302 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -89.06 82.45 6.64 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.021 -0.99 . . . . 1.0 109.778 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -135.57 50.35 2.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 1.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -151.67 93.23 1.84 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 1.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mt -94.47 18.12 11.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 1.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.76 -7.68 23.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 1.0 110.446 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.546 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -86.33 -53.03 5.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 1.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.546 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 2.8 tppt? 90.63 -34.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 1.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.14 129.44 16.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 1.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 142.03 -178.88 20.41 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.459 1.099 . . . . 1.0 111.033 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -85.51 15.29 4.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 1.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 6.2 mmtt -129.84 36.13 4.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 1.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -134.89 141.25 46.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 110.047 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.434 ' CD1' ' HB3' ' A' ' 46' ' ' CYS . 44.0 tp -99.38 36.26 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 1.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -129.07 -33.5 1.97 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.981 -1.009 . . . . 1.0 109.882 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -87.29 -2.05 58.35 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 118.887 -0.578 . . . . 1.0 109.86 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.7 m -119.91 5.07 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 1.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 t -106.74 -41.63 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 1.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.683 ' O ' ' C ' ' A' ' 70' ' ' ALA . 37.3 m80 -100.27 -82.77 0.45 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.007 -0.997 . . . . 1.0 109.731 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.683 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 13.23 89.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 1.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.75 23.85 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 1.0 110.321 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -105.17 -170.7 24.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.11 . . . . 1.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -75.41 101.57 4.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 0.745 . . . . 1.0 110.286 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.474 HD11 ' CB ' ' A' ' 70' ' ' ALA . 82.0 mt -107.35 167.88 9.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 1.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -28.84 37.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 1.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -126.49 -143.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 1.0 109.623 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.8 m -125.84 104.89 8.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 1.0 110.42 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -69.68 167.0 17.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 1.0 110.012 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.403 ' C ' ' N ' ' A' ' 81' ' ' ALA . 11.3 m -61.94 -66.2 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 1.0 108.262 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -48.0 -23.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.465 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -63.86 -70.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 1.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 85' ' ' LYS . 51.4 t -50.8 -61.47 2.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 1.0 108.287 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.401 ' ND1' ' HB3' ' A' ' 97' ' ' LEU . 12.5 m170 -38.93 -29.13 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.972 -1.013 . . . . 1.0 109.768 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 3.2 t -59.09 -50.23 74.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 1.0 110.041 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 82' ' ' CYS . 1.3 mttt -67.99 -35.65 78.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 1.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 77.1 t -58.21 -48.44 84.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 1.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.527 ' CG2' ' CG2' ' A' ' 98' ' ' THR . 18.9 t -54.45 -31.23 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 1.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.316 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.268 -0.641 . . . . 1.0 109.268 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.411 ' C ' ' CG2' ' A' ' 98' ' ' THR . 18.3 mt -109.92 2.97 20.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 1.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.527 ' CG2' ' CG2' ' A' ' 87' ' ' VAL . 7.0 p -147.83 39.1 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 1.0 110.364 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -105.54 130.03 10.04 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.482 1.114 . . . . 1.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.6 m -70.4 -30.96 67.98 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.342 -0.985 . . . . 1.0 108.342 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.26 171.26 14.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 1.0 109.254 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.0 mttt 40.65 46.93 2.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 1.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.73 -169.07 1.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 1.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.01 12.27 11.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 1.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.401 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.5 OUTLIER -128.26 -55.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 1.0 108.259 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.558 ' CE1' ' HG2' ' A' ' 16' ' ' LYS . 89.7 m-70 -110.25 76.47 1.06 Allowed Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.785 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.401 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 58.7 Cg_endo . . . . . 0 N--CA 1.447 -1.237 0 C-N-CA 124.334 3.356 . . . . 1.0 109.574 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.277 -0.638 . . . . 1.0 109.277 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.9 p -58.04 117.95 23.27 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -41.98 130.78 4.38 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.355 3.37 . . . . 1.0 109.589 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -72.63 -12.43 61.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 1.0 109.27 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.22 155.84 70.67 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 1.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -75.58 172.17 16.83 Favored 'Trans proline' 0 N--CA 1.446 -1.287 0 C-N-CA 124.295 3.33 . . . . 1.0 109.64 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 m -131.33 144.22 38.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 1.0 109.351 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.71 142.81 27.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 1.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.6 t -116.91 68.75 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.75 92.5 4.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 1.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.99 -130.39 0.66 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 1.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -59.23 -74.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 1.0 109.983 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.427 ' N ' ' OG ' ' A' ' 14' ' ' SER . 2.8 tt0 -145.57 45.96 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 1.0 110.282 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.454 ' HE2' ' CE1' ' A' ' 106' ' ' HIS . 1.4 mttt -149.62 97.16 2.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 1.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m -74.78 131.87 41.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 1.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.6 t -148.42 126.73 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 1.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 32.6 mtt -103.27 133.79 47.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 1.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.422 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 28.3 t80 -114.78 121.29 35.85 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.512 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 41.8 Cg_endo -86.61 138.24 5.23 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.322 3.348 . . . . 1.0 109.556 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' HIS . 5.4 m80 -88.4 -33.1 18.02 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 124.149 0.906 . . . . 1.0 109.736 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.678 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -47.53 -54.77 20.02 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 1.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.678 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 27.7 Cg_exo -64.37 -5.51 9.98 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.294 3.329 . . . . 1.0 109.596 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' ' 22' ' ' HIS . 70.2 m80 -131.99 37.94 3.56 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 124.105 0.878 . . . . 1.0 109.759 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 11.2 tt0 -99.19 6.01 46.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 1.0 110.284 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.82 -4.24 11.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 1.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.9 t -104.28 123.74 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 1.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.404 ' O ' ' HB ' ' A' ' 32' ' ' THR . 1.0 OUTLIER -43.37 142.87 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 1.0 110.28 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' CYS . 7.0 m -60.49 -66.01 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 1.0 108.279 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 33' ' ' CYS . 2.7 t -37.67 -57.78 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' VAL . 23.5 m -34.94 -34.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 1.0 110.39 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.481 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -105.24 -45.97 4.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 108.331 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -92.63 69.83 4.85 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.954 -1.021 . . . . 1.0 109.804 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -42.05 159.48 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.572 0 O-C-N 124.111 0.882 . . . . 1.0 109.77 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.79 152.45 23.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 1.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 70.7 t -123.42 112.54 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 1.0 109.307 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 51.8 39.71 26.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.69 28.81 66.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.145 . . . . 1.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -129.67 93.8 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 1.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.78 123.26 3.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 1.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.8 t -135.41 157.47 46.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 1.0 110.04 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -139.58 55.05 1.67 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.822 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 45' ' ' LYS . . . -95.67 149.4 21.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' ALA . 16.6 mttt -40.49 147.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 1.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -27.9 6.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 1.0 108.262 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.99 66.6 0.32 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 1.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.0 t -99.82 166.62 11.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 0.732 . . . . 1.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.17 117.99 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 1.0 110.02 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.75 50.11 20.78 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.492 1.12 . . . . 1.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.4 m -147.59 -140.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.299 -1.0 . . . . 1.0 108.299 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 61' ' ' GLU . 19.1 m-70 -96.48 78.15 2.99 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.975 -1.011 . . . . 1.0 109.741 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -134.6 47.64 2.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 1.0 109.307 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.47 99.77 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 1.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 mp -97.5 19.25 13.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 1.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.6 -5.51 42.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.524 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -90.59 -47.52 7.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 1.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 91.17 -27.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 1.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -155.23 135.89 13.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 1.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.64 161.88 9.87 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 1.0 111.051 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.449 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 0.7 OUTLIER -61.59 -13.58 23.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 1.0 110.298 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -99.16 31.49 3.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 1.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 t -135.5 145.79 47.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 1.0 110.013 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.3 tp -109.3 42.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 1.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -133.5 -34.96 1.02 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.027 -0.988 . . . . 1.0 109.828 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -88.38 -1.28 57.95 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 118.872 -0.585 . . . . 1.0 109.819 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.7 m -119.01 2.05 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 1.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.1 t -100.29 -48.13 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.681 ' O ' ' C ' ' A' ' 70' ' ' ALA . 23.9 m80 -95.7 -78.77 0.45 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.939 -1.028 . . . . 1.0 109.777 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.681 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 12.3 88.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 1.0 109.275 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.86 22.43 3.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 1.0 110.337 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.05 -164.0 24.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 1.0 110.979 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -79.74 105.91 11.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 1.0 110.269 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.473 HD13 ' CB ' ' A' ' 70' ' ' ALA . 82.7 mt -113.45 164.06 14.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 1.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -50.19 -34.87 24.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -120.74 -143.76 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 1.0 109.548 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.4 m -125.06 104.9 8.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 1.0 110.415 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -67.99 165.55 17.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 1.0 110.033 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.41 ' C ' ' N ' ' A' ' 81' ' ' ALA . 9.6 m -61.2 -66.88 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 1.0 108.312 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.67 -22.63 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 1.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -65.04 -70.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 1.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 85' ' ' LYS . 50.7 t -50.06 -60.79 2.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 1.0 108.299 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.435 ' ND1' ' HB3' ' A' ' 97' ' ' LEU . 13.0 m170 -39.13 -33.51 0.13 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.031 -0.986 . . . . 1.0 109.775 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 0.6 OUTLIER -56.47 -46.94 80.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 1.0 109.975 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 82' ' ' CYS . 0.1 OUTLIER -69.59 -40.18 76.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 1.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.534 ' CG1' ' CD1' ' A' ' 97' ' ' LEU . 84.2 t -55.03 -42.14 62.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 1.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 49.3 t -54.73 -27.74 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 1.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 1.0 109.294 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.286 -0.635 . . . . 1.0 109.286 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.534 ' CD1' ' CG1' ' A' ' 86' ' ' VAL . 3.3 mt -111.49 -31.99 6.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 1.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.401 ' HG1' ' N ' ' A' ' 99' ' ' GLY . 31.2 p -113.82 -146.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 1.0 110.396 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.401 ' N ' ' HG1' ' A' ' 98' ' ' THR . . . 68.43 132.38 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.501 1.125 . . . . 1.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 65.9 m -77.37 -28.79 52.99 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.304 -0.999 . . . . 1.0 108.304 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.59 167.6 19.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 1.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 55.45 48.46 18.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 1.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.3 m -136.6 178.59 6.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 1.0 109.962 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.56 -3.54 59.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 1.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.3 m -101.95 -40.9 6.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 1.0 108.301 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.454 ' CE1' ' HE2' ' A' ' 16' ' ' LYS . 80.6 m-70 -131.68 74.53 77.71 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.021 -0.991 . . . . 1.0 109.781 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo . . . . . 0 N--CA 1.447 -1.211 0 C-N-CA 124.339 3.359 . . . . 1.0 109.592 179.869 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.476 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 122.052 0.93 . . . . 1.0 109.292 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 27.0 Cg_endo -57.17 158.36 18.33 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.299 3.333 . . . . 1.0 109.615 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.69 120.55 17.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 1.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.6 p -58.06 123.71 66.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 1.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -71.59 124.92 10.7 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.255 3.303 . . . . 1.0 109.615 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -77.15 -1.26 28.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 1.0 109.31 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.89 148.05 36.64 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -79.02 142.84 17.56 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.371 3.38 . . . . 1.0 109.563 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -108.11 133.47 52.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 1.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -71.78 139.08 48.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 1.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 13' ' ' GLY . 25.2 t -119.15 69.67 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 1.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -53.09 89.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 1.0 109.361 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 11' ' ' VAL . . . -66.06 -124.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.458 1.099 . . . . 1.0 110.95 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.08 -63.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 0.777 . . . . 1.0 109.994 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -127.91 -58.98 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 1.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.55 146.47 54.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 1.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.3 m -102.5 134.29 46.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 1.0 110.394 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.1 128.98 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 1.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.7 ptt? -110.09 131.54 54.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 1.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.748 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 19.5 t80 -107.95 125.44 32.1 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 1.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.506 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 31.9 Cg_endo -88.85 139.38 3.81 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.276 3.317 . . . . 1.0 109.593 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.435 ' O ' ' N ' ' A' ' 25' ' ' HIS . 6.9 m80 -87.65 -33.45 18.8 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.118 0.886 . . . . 1.0 109.752 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.682 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -47.89 -54.92 20.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.682 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 26.5 Cg_exo -65.15 -5.19 10.52 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.35 3.367 . . . . 1.0 109.594 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.456 ' ND1' ' CE1' ' A' ' 20' ' ' PHE . 69.3 m80 -134.21 40.97 3.0 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.145 0.903 . . . . 1.0 109.749 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.78 9.75 38.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 1.0 110.293 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.08 -4.13 9.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 1.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.1 t -103.2 124.48 57.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 1.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.18 136.01 7.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 1.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' CYS . 5.2 m -51.21 -59.74 3.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 1.0 108.337 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 32' ' ' THR . 3.6 p -38.66 -49.6 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' VAL . 3.3 m -37.77 -42.68 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 1.0 110.366 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.597 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 1.3 m -101.78 -54.56 2.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 1.0 108.275 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.2 m-70 -82.52 69.93 9.38 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.758 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -47.5 160.8 0.1 Allowed 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.166 0.916 . . . . 1.0 109.78 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.65 155.56 24.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 1.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.9 t -124.33 112.47 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 1.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 t0 54.15 40.18 31.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 1.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.16 32.54 63.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 1.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -130.98 102.82 6.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.773 . . . . 1.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -43.86 128.74 5.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 1.0 110.311 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.473 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 41.3 t -148.48 156.61 42.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 1.0 110.007 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 42' ' ' SER . 25.9 m-85 -143.43 54.47 1.34 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.038 -0.983 . . . . 1.0 109.843 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.11 147.14 23.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 1.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.26 147.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 1.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.463 ' HB2' ' CGD' ' A' ' 233' ' ' HEM . 0.1 OUTLIER -46.74 -33.62 4.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 1.0 108.293 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.07 63.09 0.29 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 1.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.0 t -97.94 167.65 10.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 1.0 109.975 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.402 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 46.0 t -42.26 126.67 3.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 1.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 55.45 52.53 47.2 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 1.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.47 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 15.9 m -141.91 -144.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.281 -1.007 . . . . 1.0 108.281 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -97.23 81.81 3.08 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.966 -1.015 . . . . 1.0 109.746 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -134.54 51.27 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 1.0 109.263 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.81 100.55 1.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 1.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.34 21.39 12.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 1.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.422 ' O ' ' CG2' ' A' ' 56' ' ' THR . 0.9 OUTLIER -101.44 -1.92 32.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 110.364 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -91.91 -49.1 6.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 1.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 90.05 -38.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 1.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.45 121.74 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 1.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 147.72 156.72 7.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.529 1.143 . . . . 1.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.36 -17.5 12.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 1.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.64 33.02 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 1.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -130.84 140.2 50.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 1.0 110.001 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.498 ' O ' ' CGD' ' A' ' 305' ' ' HEM . 45.4 tp -103.63 39.76 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 1.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -131.39 -34.15 1.42 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.959 -1.018 . . . . 1.0 109.816 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -86.91 -3.88 59.12 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 118.937 -0.554 . . . . 1.0 109.841 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.1 m -117.5 2.86 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 1.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.498 ' CG2' ' O1D' ' A' ' 305' ' ' HEM . 2.5 t -102.09 -46.69 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 1.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.687 ' O ' ' C ' ' A' ' 70' ' ' ALA . 38.0 m80 -95.55 -80.08 0.43 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.719 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.687 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 11.74 91.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.403 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -92.15 20.52 5.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 1.0 110.351 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.0 -163.65 29.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.444 1.09 . . . . 1.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -84.13 98.33 9.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.753 . . . . 1.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.47 ' CD1' ' CB ' ' A' ' 70' ' ' ALA . 52.3 mt -105.36 172.85 6.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 1.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.49 -51.01 58.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -106.76 -139.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 1.0 109.601 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.0 m -127.0 104.27 7.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 1.0 110.371 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -65.72 166.44 10.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 1.0 110.018 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 81' ' ' ALA . 11.5 m -61.59 -66.47 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.0 108.312 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.3 mm? -48.67 -21.72 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 1.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -65.82 -70.38 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 1.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 85' ' ' LYS . 53.9 t -49.72 -61.3 2.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 1.0 108.282 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.414 ' ND1' ' HB3' ' A' ' 97' ' ' LEU . 13.1 m170 -39.1 -30.46 0.05 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.759 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 3.3 t -60.53 -49.01 79.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 1.0 109.994 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 82' ' ' CYS . 0.1 OUTLIER -67.55 -35.82 79.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 1.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 69.9 t -57.72 -48.2 84.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 1.0 109.333 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.93 -19.71 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 1.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -81.36 5.3 17.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 1.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.73 -40.62 3.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 1.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 93' ' ' LEU . 1.8 tttp -127.67 69.19 75.63 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 1.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -44.97 -23.54 0.98 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.318 3.346 . . . . 1.0 109.659 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -86.72 21.48 2.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 1.0 110.311 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 90' ' ' LYS . 66.4 mt -135.13 16.17 3.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 1.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.436 ' O ' ' CB ' ' A' ' 95' ' ' LYS . 8.2 tttp -67.24 73.87 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 1.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 99' ' ' GLY . 3.4 mtmt 168.57 -64.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 1.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -39.9 -29.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.455 ' N ' ' C ' ' A' ' 95' ' ' LYS . 13.0 mt -110.92 -25.6 9.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.183 . . . . 1.0 109.248 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 95' ' ' LYS . 3.1 p -128.55 57.41 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 1.0 110.396 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -123.03 128.71 7.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.552 1.158 . . . . 1.0 111.005 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 106' ' ' HIS . 80.2 m -70.29 -29.86 66.71 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.316 -0.994 . . . . 1.0 108.316 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.72 172.7 12.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 1.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.02 49.0 9.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 1.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.58 -171.69 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.0 110.039 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -87.26 1.57 52.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 1.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -114.06 -50.6 2.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 1.0 108.284 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.402 ' CB ' ' O ' ' A' ' 100' ' ' CYS . 89.7 m-70 -118.71 83.33 22.02 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-N 114.981 -1.009 . . . . 1.0 109.752 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo . . . . . 0 N--CA 1.447 -1.226 0 C-N-CA 124.292 3.328 . . . . 1.0 109.619 179.871 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.748 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.47 ' C2C' ' HB3' ' A' ' 51' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.414 ' CMC' ' CBC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.538 ' CMC' ' CBC' ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 122.094 0.95 . . . . 1.0 109.307 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.552 ' HG3' ' CD2' ' A' ' 43' ' ' TYR . 7.9 Cg_endo -47.97 155.66 1.68 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.326 3.351 . . . . 1.0 109.571 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.9 121.02 17.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 1.0 109.318 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.13 123.05 84.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 1.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -72.07 129.81 15.69 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.313 3.342 . . . . 1.0 109.623 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -84.44 7.57 19.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 1.0 109.284 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.34 148.77 41.55 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 1.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -78.4 135.43 13.32 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.32 3.347 . . . . 1.0 109.65 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.3 m -107.72 131.52 57.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 1.0 109.257 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -71.46 143.2 50.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 1.0 110.335 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.491 ' CG1' ' O2D' ' A' ' 233' ' ' HEM . 26.4 t -121.18 68.31 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 1.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -40.41 129.4 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 1.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -118.89 -154.66 9.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 1.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.478 ' HB3' ' CAA' ' A' ' 305' ' ' HEM . 0.0 OUTLIER -55.71 -71.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.78 . . . . 1.0 109.984 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.408 ' N ' ' OG ' ' A' ' 14' ' ' SER . 5.9 tt0 -141.93 43.4 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 1.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.88 127.08 2.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 1.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.7 m -89.91 130.8 36.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 1.0 110.407 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.6 t -133.34 126.43 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 1.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -105.64 133.67 50.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 1.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.751 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 19.1 t80 -111.03 124.88 31.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 1.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.506 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 33.5 Cg_endo -87.61 138.48 4.51 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.301 3.334 . . . . 1.0 109.6 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.437 ' O ' ' N ' ' A' ' 25' ' ' HIS . 7.1 m80 -87.5 -33.43 18.99 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 124.129 0.893 . . . . 1.0 109.726 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.683 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -47.81 -54.95 19.55 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 1.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.683 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 26.5 Cg_exo -65.12 -5.46 11.04 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.27 3.313 . . . . 1.0 109.647 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 22' ' ' HIS . 70.7 m80 -134.0 39.29 3.14 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 124.183 0.927 . . . . 1.0 109.783 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.75 6.36 45.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.0 110.297 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.41 -20.56 10.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 1.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.32 128.06 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 109.281 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.03 137.05 17.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 1.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.7 m -49.45 -61.43 2.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 1.0 108.336 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' CYS . 3.5 p -40.71 -50.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 1.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.5 m -38.05 -30.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 1.0 110.427 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.602 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.8 OUTLIER -112.88 -53.53 2.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 108.321 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -83.53 74.13 10.14 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.958 -1.019 . . . . 1.0 109.767 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 76' ' ' HIS . 2.8 p80 -50.63 161.28 0.35 Allowed 'General case' 0 CA--C 1.54 0.585 0 O-C-N 124.139 0.899 . . . . 1.0 109.753 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.407 ' N ' ' CD2' ' A' ' 36' ' ' LEU . 2.0 mt -84.78 156.33 21.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 1.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.6 t -123.77 112.93 34.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.584 1.178 . . . . 1.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t0 55.51 41.33 30.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 1.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.0 37.89 59.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.109 . . . . 1.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.76 124.64 24.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 1.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.35 127.68 7.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.605 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 45.6 t -139.89 150.96 45.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 42' ' ' SER . 60.0 m-85 -157.12 48.17 0.43 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.017 -0.992 . . . . 1.0 109.809 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.436 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -98.14 148.08 23.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 1.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -41.88 152.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 1.0 109.295 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.411 ' HB2' ' CGD' ' A' ' 233' ' ' HEM . 0.0 OUTLIER -50.13 -38.26 38.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 1.0 108.332 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.64 61.29 0.36 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.488 1.118 . . . . 1.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.436 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 28.0 t -95.91 168.38 10.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 0.801 . . . . 1.0 110.01 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.1 m -52.08 132.47 32.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 1.0 110.024 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.68 43.28 94.49 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.111 . . . . 1.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 13.3 m -139.99 -145.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.3 -1.0 . . . . 1.0 108.3 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -90.92 72.27 6.5 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.749 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -122.04 46.13 2.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 1.0 109.266 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.17 94.65 2.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 1.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' A' ' 14' ' ' SER . 0.6 OUTLIER -94.35 18.39 11.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.08 -11.83 57.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 1.0 110.413 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.04 174.15 5.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 1.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.467 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -113.91 -11.7 12.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 1.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -172.6 135.94 0.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 1.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 154.27 158.31 8.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.133 . . . . 1.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.71 -14.7 15.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 1.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -112.15 43.11 1.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 1.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 t -135.29 141.62 45.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 1.0 110.017 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.451 ' O ' ' CGD' ' A' ' 305' ' ' HEM . 39.0 tp -102.33 38.21 1.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 1.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.467 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 5.7 t80 -131.02 -36.49 1.33 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.036 -0.984 . . . . 1.0 109.818 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.441 ' CD2' ' O2A' ' A' ' 251' ' ' HEM . 90.1 t80 -87.76 -1.94 58.29 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 118.934 -0.555 . . . . 1.0 109.864 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.3 m -118.59 3.39 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 1.0 109.34 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.47 ' CG2' ' O2D' ' A' ' 305' ' ' HEM . 2.3 t -102.3 -46.47 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 1.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.672 ' O ' ' C ' ' A' ' 70' ' ' ALA . 23.3 m80 -97.69 -80.43 0.45 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.745 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.672 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 15.01 90.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.89 20.7 7.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 1.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.7 -153.74 28.52 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.556 1.16 . . . . 1.0 111.007 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.68 99.34 12.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 1.0 110.263 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.547 ' CD1' ' CB ' ' A' ' 70' ' ' ALA . 44.1 mt -107.57 176.48 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -46.35 77.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 1.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -114.83 -152.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 109.608 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.5 m -112.25 102.87 11.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 1.0 110.366 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.97 167.53 7.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 1.0 109.963 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 18.8 m -60.76 -67.44 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 1.0 108.281 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -49.02 -22.32 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 1.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.463 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -64.26 -70.34 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 1.0 109.309 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.422 ' O ' ' N ' ' A' ' 85' ' ' LYS . 49.6 t -50.13 -59.58 3.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 1.0 108.302 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -40.44 -28.22 0.06 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.99 -1.004 . . . . 1.0 109.762 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 4.4 t -60.18 -46.32 90.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 1.0 109.988 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 82' ' ' CYS . 0.1 OUTLIER -71.36 -38.59 71.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 1.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.486 ' CG1' ' CD1' ' A' ' 97' ' ' LEU . 71.5 t -54.54 -37.36 38.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 1.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.0 t -54.9 -29.23 21.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 1.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.66 11.47 8.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 1.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -114.7 -36.93 4.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 1.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.405 ' N ' ' HD3' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -130.11 64.56 72.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 1.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 90' ' ' LYS . 65.6 Cg_exo -45.67 -23.05 1.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.332 3.354 . . . . 1.0 109.63 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -85.03 28.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 1.0 110.27 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.516 ' O ' ' C ' ' A' ' 94' ' ' LYS . 20.9 mt -131.87 -73.99 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 1.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 93' ' ' LEU . 2.6 tttp 31.66 61.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 1.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 99' ' ' GLY . 4.3 mttp 171.05 -65.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 1.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.533 ' HD2' ' NZ ' ' A' ' 104' ' ' LYS . 0.5 OUTLIER -41.11 -28.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 1.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.486 ' CD1' ' CG1' ' A' ' 86' ' ' VAL . 6.2 mt -107.96 -28.8 9.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 95' ' ' LYS . 7.3 p -126.03 57.18 1.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 1.0 110.374 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -115.75 126.93 7.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 1.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 82.3 m -72.55 -31.39 65.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.275 -1.009 . . . . 1.0 108.275 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.92 172.16 13.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 1.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 106' ' ' HIS . 0.1 OUTLIER 41.87 46.52 3.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 1.0 109.332 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.7 t -128.12 -167.56 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.533 ' NZ ' ' HD2' ' A' ' 96' ' ' ASP . 0.0 OUTLIER -87.83 0.6 55.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 1.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -116.14 -50.07 2.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 1.0 108.312 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 102' ' ' LYS . 89.6 m-70 -118.07 83.22 19.01 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-N 114.943 -1.026 . . . . 1.0 109.76 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 106' ' ' HIS . 39.1 Cg_exo . . . . . 0 N--CA 1.446 -1.28 0 C-N-CA 124.355 3.37 . . . . 1.0 109.61 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.751 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.441 ' O2A' ' CD2' ' A' ' 66' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.406 ' C2C' ' HB3' ' A' ' 82' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.535 ' CMC' ' CBC' ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.558 ' CB ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 122.091 0.948 . . . . 1.0 109.289 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.558 ' CD ' ' CB ' ' A' ' 1' ' ' ALA . 32.8 Cg_exo -62.53 141.46 86.44 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.306 3.338 . . . . 1.0 109.585 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.0 122.73 13.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 1.0 109.279 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.94 122.12 81.06 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 1.0 109.274 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -76.44 124.02 7.45 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.305 3.337 . . . . 1.0 109.576 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -86.21 10.16 15.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.321 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.86 91.33 25.76 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 1.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.432 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 12.1 Cg_exo -40.64 140.05 1.12 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.29 3.327 . . . . 1.0 109.631 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.08 148.56 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 1.0 109.257 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -78.78 144.89 34.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 1.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.435 HG23 ' CGD' ' A' ' 233' ' ' HEM . 23.4 t -116.72 66.49 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 1.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp -39.79 133.73 1.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 1.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -125.3 -152.65 8.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 1.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.522 ' N ' ' CD2' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -61.0 -69.28 0.24 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 0.774 . . . . 1.0 110.029 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.449 ' N ' ' OG ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -147.31 47.45 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 1.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -167.63 99.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 1.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.6 m -70.9 133.62 46.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 1.0 110.411 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.6 t -137.86 127.09 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 1.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.0 ptp -102.51 140.03 37.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 1.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.744 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 23.4 t80 -115.46 124.45 30.04 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 1.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.517 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 30.8 Cg_endo -88.48 138.19 3.77 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.317 3.345 . . . . 1.0 109.571 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 25' ' ' HIS . 6.6 m80 -87.17 -33.17 19.47 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.152 0.907 . . . . 1.0 109.727 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.686 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -48.22 -54.98 20.6 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 1.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.686 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 29.1 Cg_exo -64.6 -5.97 11.26 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.329 3.353 . . . . 1.0 109.584 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 22' ' ' HIS . 70.0 m80 -134.17 39.7 3.08 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.151 0.907 . . . . 1.0 109.759 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.14 5.27 46.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 110.306 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -114.51 -20.22 10.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 1.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.466 HG12 ' CBC' ' A' ' 282' ' ' HEM . 16.4 t -86.1 123.4 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.07 138.72 4.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.091 . . . . 1.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 31' ' ' VAL . 5.3 m -53.02 -62.64 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 1.0 108.328 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 30' ' ' CYS . 2.6 p -37.06 -55.26 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' VAL . 8.0 m -34.52 -39.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 1.0 110.426 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.599 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.8 OUTLIER -102.64 -53.25 2.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 1.0 108.27 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.1 m-70 -84.33 71.11 10.69 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.03 -0.987 . . . . 1.0 109.763 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.682 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 3.2 p80 -46.82 160.53 0.08 Allowed 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.169 0.918 . . . . 1.0 109.794 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.08 152.28 24.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 1.0 109.301 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.5 t -120.86 112.04 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 1.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.12 39.09 25.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 1.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 60.23 30.45 70.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.142 . . . . 1.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -128.71 100.22 5.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.75 . . . . 1.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -44.21 126.1 4.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 1.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.3 t -140.05 157.35 45.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 1.0 109.967 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -142.25 56.31 1.46 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.992 -1.004 . . . . 1.0 109.827 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.471 ' HB3' ' CB ' ' A' ' 48' ' ' SER . . . -98.82 142.22 30.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 1.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.77 152.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 1.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.36 -30.65 8.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 1.0 108.315 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -110.56 63.87 0.27 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.117 . . . . 1.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.471 ' CB ' ' HB3' ' A' ' 44' ' ' ALA . 25.2 t -102.54 168.65 9.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 1.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 84.8 p -52.18 131.67 32.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 1.0 109.974 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 55.18 52.13 49.34 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 1.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.424 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 19.0 m -146.97 -143.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -91.87 79.42 5.3 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.961 -1.018 . . . . 1.0 109.774 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -132.3 51.47 2.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 1.0 109.29 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.57 94.61 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' A' ' 14' ' ' SER . 4.6 tp -91.82 15.72 12.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.8 m -71.83 -19.08 62.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 1.0 110.419 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.8 162.94 13.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.556 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 14.8 mttt -103.09 -3.92 25.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 1.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -172.95 131.33 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 1.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.42 158.15 8.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.125 . . . . 1.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.81 -30.03 60.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 0.777 . . . . 1.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.56 32.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 1.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -131.0 136.08 48.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 1.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.474 ' HG ' ' CGD' ' A' ' 305' ' ' HEM . 45.1 tp -97.78 36.74 1.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 1.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.556 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 3.5 t80 -129.19 -33.62 1.93 Allowed 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.832 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -87.25 -3.13 59.03 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 118.895 -0.574 . . . . 1.0 109.846 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.5 m -118.69 4.86 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 1.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 t -105.28 -44.39 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 1.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.674 ' O ' ' C ' ' A' ' 70' ' ' ALA . 36.5 m80 -98.23 -81.71 0.43 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.021 -0.99 . . . . 1.0 109.765 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.674 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 14.77 89.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 1.0 109.306 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.405 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -91.55 20.66 5.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 1.0 110.317 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.57 -160.31 27.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 1.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -86.41 101.12 12.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 1.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.533 ' CD1' ' CB ' ' A' ' 70' ' ' ALA . 50.6 mt -108.72 175.91 5.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 1.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.436 ' CD ' ' O1D' ' A' ' 251' ' ' HEM . 25.7 tttp -55.03 -50.84 68.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 1.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.682 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 4.5 m-70 -106.98 -140.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 109.576 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.3 m -125.67 104.52 8.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 1.0 110.357 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -66.69 166.68 12.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 1.0 109.992 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.406 ' C ' ' N ' ' A' ' 81' ' ' ALA . 10.3 m -61.71 -66.27 0.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 1.0 108.337 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.414 ' N ' HD22 ' A' ' 80' ' ' LEU . 1.0 OUTLIER -48.82 -22.44 0.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 1.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.463 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -64.8 -70.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 1.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 85' ' ' LYS . 52.8 t -50.27 -62.17 1.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 1.0 108.313 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -38.23 -29.21 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.742 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 4.6 p -59.81 -50.17 74.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 1.0 109.975 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 82' ' ' CYS . 6.8 tptt -66.91 -34.64 78.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 1.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 89' ' ' GLU . 88.1 t -60.36 -50.0 82.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 1.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.53 ' CG2' ' CG2' ' A' ' 98' ' ' THR . 14.3 t -54.83 -19.58 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 1.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.87 11.38 11.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 1.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 86' ' ' VAL . 0.3 OUTLIER -125.76 -45.07 1.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 1.0 110.305 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 93' ' ' LEU . 1.9 tptt -122.26 75.16 41.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 1.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -45.33 -22.82 1.02 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.313 3.342 . . . . 1.0 109.613 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -84.85 19.91 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 1.0 110.284 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 90' ' ' LYS . 3.1 mp -130.42 14.22 5.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 1.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -56.34 23.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 1.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -90.19 35.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 1.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -130.53 -46.52 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 1.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.0 mt -101.74 -16.34 16.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 1.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.53 ' CG2' ' CG2' ' A' ' 87' ' ' VAL . 1.4 p -138.7 41.58 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 1.0 110.405 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.62 127.57 9.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.556 1.16 . . . . 1.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 72.6 m -69.03 -28.16 66.32 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.312 -0.996 . . . . 1.0 108.312 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -149.05 172.98 13.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 1.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 42.86 43.02 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 1.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.7 p -123.71 -153.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 1.0 110.062 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -108.31 16.39 23.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 1.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.59 -52.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 1.0 108.336 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -114.28 63.36 1.26 Allowed Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 115.032 -0.985 . . . . 1.0 109.747 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo . . . . . 0 N--CA 1.447 -1.241 0 C-N-CA 124.32 3.347 . . . . 1.0 109.605 179.866 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.744 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.436 ' O1D' ' CD ' ' A' ' 75' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.466 ' CBC' HG12 ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.53 ' CMC' ' CBC' ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.493 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 122.057 0.932 . . . . 1.0 109.301 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.493 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 33.5 Cg_endo -58.06 123.23 13.2 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.301 3.334 . . . . 1.0 109.584 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -40.33 125.7 2.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 1.0 109.302 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -44.31 110.51 1.02 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 1.0 109.307 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -50.54 130.93 31.31 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.295 3.33 . . . . 1.0 109.606 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -90.74 9.26 30.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 1.0 109.292 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.46 92.48 43.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 1.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.454 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 11.4 Cg_exo -40.42 154.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.3 3.334 . . . . 1.0 109.613 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.46 HG23 ' CGD' ' A' ' 233' ' ' HEM . 0.0 OUTLIER -117.86 148.76 20.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 1.0 109.317 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -81.79 147.57 29.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 1.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 13' ' ' GLY . 26.0 t -121.33 72.52 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 1.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -57.84 88.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 1.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 11' ' ' VAL . . . -62.0 -149.6 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 1.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -57.82 10.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 1.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.61 46.51 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.45 129.4 2.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 1.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 95.5 m -92.96 118.67 31.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 1.0 110.435 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 11' ' ' VAL . 36.0 t -128.55 126.0 64.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 1.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.54 135.13 45.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 1.0 110.995 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.736 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 25.8 t80 -112.27 123.32 34.5 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.504 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 39.7 Cg_endo -87.25 137.11 4.24 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.289 3.326 . . . . 1.0 109.583 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.442 ' O ' ' N ' ' A' ' 25' ' ' HIS . 4.9 m80 -87.39 -32.87 19.34 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.146 0.904 . . . . 1.0 109.788 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.683 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -47.73 -55.03 18.8 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 1.0 109.338 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.683 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 25.8 Cg_exo -64.99 -5.59 11.1 Favored 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.318 3.345 . . . . 1.0 109.569 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.483 ' CD2' ' CBC' ' A' ' 233' ' ' HEM . 68.4 m80 -132.39 38.56 3.45 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 124.147 0.905 . . . . 1.0 109.775 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.86 8.7 41.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 1.0 110.258 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -121.43 -2.98 9.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 1.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.0 t -103.6 122.65 56.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 1.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' A' ' 32' ' ' THR . 2.6 mt-10 -43.19 129.02 4.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 1.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 34' ' ' HIS . 7.8 m -46.81 -57.42 4.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 108.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 32' ' ' THR . 3.7 p -42.14 -48.46 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.432 ' CB ' ' O ' ' A' ' 29' ' ' GLU . 1.6 m -37.86 -40.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 1.0 110.407 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.594 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 1.3 m -103.21 -54.79 2.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 1.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 30' ' ' CYS . 99.0 m-70 -82.53 72.47 9.6 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.992 -1.003 . . . . 1.0 109.777 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.457 ' HB2' ' CD2' ' A' ' 76' ' ' HIS . 6.5 p80 -47.82 159.9 0.15 Allowed 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.098 0.874 . . . . 1.0 109.752 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.36 146.92 27.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 1.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.4 t -117.74 112.45 38.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 1.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t0 54.06 40.77 31.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 1.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.67 38.7 73.16 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.136 . . . . 1.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -136.0 101.05 4.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 1.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -43.56 124.52 3.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 1.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.0 t -139.51 157.56 45.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 1.0 110.027 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -145.67 56.08 1.2 Allowed 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.053 -0.976 . . . . 1.0 109.869 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.2 142.82 27.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -43.39 146.19 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 1.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.81 -32.7 3.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 1.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.65 61.57 0.35 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 1.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.6 t -100.39 167.67 10.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 1.0 110.016 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.6 m -57.9 137.38 56.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 1.0 110.014 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 55.68 46.03 83.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 1.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.421 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 19.5 m -145.35 -143.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.341 -0.985 . . . . 1.0 108.341 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -90.47 81.65 5.95 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.738 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -136.07 47.58 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 1.0 109.34 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -152.92 95.04 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.1 mt -94.79 17.98 12.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 1.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.71 -7.16 25.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 1.0 110.404 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.541 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -85.81 -52.97 5.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 1.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 3.7 tmtm? 90.6 -37.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 1.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.2 129.4 19.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 1.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 142.3 178.53 18.41 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.532 1.145 . . . . 1.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.07 15.94 4.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.78 . . . . 1.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -128.8 35.49 4.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 1.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -133.57 148.56 51.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 1.0 110.007 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.464 ' HG ' ' CGD' ' A' ' 305' ' ' HEM . 44.2 tp -107.05 40.45 1.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 1.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -132.39 -35.44 1.16 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.819 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -86.85 -1.62 57.94 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.923 -0.561 . . . . 1.0 109.831 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.4 m -119.39 3.18 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 1.0 109.343 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -103.68 -44.76 9.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 1.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.678 ' O ' ' C ' ' A' ' 70' ' ' ALA . 33.8 m80 -97.47 -81.42 0.43 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.045 -0.979 . . . . 1.0 109.76 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.678 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 13.97 91.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 1.0 109.264 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.81 21.86 6.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 1.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -101.93 -160.96 26.6 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.129 . . . . 1.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.41 100.43 11.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 1.0 110.278 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.525 ' CD1' ' CB ' ' A' ' 70' ' ' ALA . 63.8 mt -108.17 175.7 5.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 1.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -51.2 69.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.457 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 15.6 m80 -105.95 -139.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 1.0 109.578 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.3 m -126.71 105.49 8.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 1.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -67.55 166.56 14.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 1.0 109.976 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.41 ' C ' ' N ' ' A' ' 81' ' ' ALA . 8.7 m -61.48 -66.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 1.0 108.276 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -48.8 -21.89 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 1.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -66.68 -72.13 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 53.8 t -47.83 -63.15 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 108.315 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.434 ' ND1' ' HB3' ' A' ' 97' ' ' LEU . 15.6 m170 -36.77 -45.24 0.53 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.998 -1.001 . . . . 1.0 109.752 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 t -43.12 -42.5 4.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 1.0 109.965 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -74.57 -45.34 46.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 1.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.595 ' CG1' ' CD1' ' A' ' 97' ' ' LEU . 94.1 t -52.69 -40.33 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 1.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 57.1 t -54.15 -23.18 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -87.9 14.94 7.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 1.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -117.2 -38.85 3.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 1.0 110.292 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -130.58 65.12 75.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 1.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 90' ' ' LYS . 61.8 Cg_exo -46.78 -22.69 2.03 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.271 3.314 . . . . 1.0 109.603 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -87.93 29.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 1.0 110.264 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 95' ' ' LYS . 13.0 mt -139.35 -70.27 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 1.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 98' ' ' THR . 15.3 tttt 52.85 -90.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 1.0 109.349 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 93' ' ' LEU . 7.4 mttm -39.37 -49.16 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 1.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 95' ' ' LYS . 4.0 t70 -35.33 -38.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 1.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.595 ' CD1' ' CG1' ' A' ' 86' ' ' VAL . 6.1 mt -111.54 -21.89 11.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 1.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 94' ' ' LYS . 67.5 p -118.38 -139.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 110.385 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.86 131.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.142 . . . . 1.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.52 ' SG ' ' CMB' ' A' ' 305' ' ' HEM . 84.1 m -75.21 -30.5 60.62 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.314 -0.995 . . . . 1.0 108.314 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.74 164.36 25.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 1.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 52.75 59.63 4.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 1.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.0 p -142.61 -175.51 4.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 1.0 109.985 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -89.96 4.35 50.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 1.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -113.34 -49.25 2.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 1.0 108.282 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -121.09 83.12 37.87 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 114.951 -1.022 . . . . 1.0 109.755 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo . . . . . 0 N--CA 1.448 -1.188 0 C-N-CA 124.274 3.316 . . . . 1.0 109.561 179.884 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.736 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.421 ' C2C' ' HB3' ' A' ' 51' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.413 ' CMC' ' CBC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.531 ' CMC' ' CBC' ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 122.087 0.946 . . . . 1.0 109.354 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.502 ' O ' ' CMB' ' A' ' 233' ' ' HEM . 96.3 Cg_exo -41.68 118.81 0.93 Allowed 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.302 3.335 . . . . 1.0 109.626 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -40.82 123.55 1.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 1.0 109.293 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.4 123.7 85.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 1.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -71.48 120.67 7.1 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.311 3.341 . . . . 1.0 109.589 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -83.53 6.57 19.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 1.0 109.32 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -105.38 152.34 39.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 1.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -76.39 138.79 20.16 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.319 3.346 . . . . 1.0 109.611 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.488 HG21 ' CBD' ' A' ' 233' ' ' HEM . 30.6 m -124.22 129.52 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 1.0 109.257 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.86 144.53 31.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.2 t -117.92 67.04 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 1.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.37 102.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 1.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.48 -150.34 9.98 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 1.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.472 ' HB3' ' CGA' ' A' ' 305' ' ' HEM . 0.1 OUTLIER -55.06 -67.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 1.0 109.98 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.33 44.51 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 1.0 110.272 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -160.48 135.6 7.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.6 m -97.61 128.88 44.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 1.0 110.385 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.0 t -135.46 126.65 45.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 1.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -98.73 135.84 39.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 1.0 110.961 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.736 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 37.0 t80 -119.54 116.45 33.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 1.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.496 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 79.6 Cg_endo -85.32 138.92 6.73 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.296 3.331 . . . . 1.0 109.6 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 25' ' ' HIS . 6.1 m80 -87.65 -30.76 20.18 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.18 0.925 . . . . 1.0 109.815 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.665 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -47.82 -54.29 24.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 1.0 109.255 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.665 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 37.9 Cg_exo -64.37 -5.64 10.23 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.332 3.355 . . . . 1.0 109.572 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.475 ' CD2' ' CBC' ' A' ' 233' ' ' HEM . 63.6 m80 -133.2 38.66 3.31 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 124.109 0.881 . . . . 1.0 109.811 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 6.8 tt0 -97.51 5.11 50.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 1.0 110.317 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.6 -5.19 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.6 t -101.52 118.38 48.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 1.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.428 ' O ' ' HB ' ' A' ' 32' ' ' THR . 5.5 mp0 -42.77 144.96 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 1.0 110.338 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 34' ' ' HIS . 4.4 m -59.35 -64.67 0.86 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 1.0 108.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 33' ' ' CYS . 3.1 p -38.7 -57.61 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 1.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 31' ' ' VAL . 16.6 m -35.77 -32.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 1.0 110.428 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.511 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.9 OUTLIER -107.42 -57.09 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 1.0 108.303 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 30' ' ' CYS . 96.6 m-70 -81.74 72.21 8.78 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.99 -1.005 . . . . 1.0 109.722 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.553 ' HB2' ' CD2' ' A' ' 76' ' ' HIS . 1.7 p80 -42.07 160.55 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 O-C-N 124.112 0.882 . . . . 1.0 109.704 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.33 151.68 22.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 1.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.437 HG22 ' CB ' ' A' ' 42' ' ' SER . 79.5 t -115.81 113.5 43.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 1.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 55.54 41.46 30.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 1.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.5 31.39 77.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.107 . . . . 1.0 110.982 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.66 129.61 35.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.763 . . . . 1.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.75 147.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 1.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.437 ' CB ' HG22 ' A' ' 37' ' ' VAL . 4.1 t -142.91 141.63 31.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 1.0 110.016 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.459 ' CG ' ' HG2' ' A' ' 2' ' ' PRO . 97.2 m-85 -157.93 43.9 0.31 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.992 -1.004 . . . . 1.0 109.863 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' LYS . . . -105.52 149.31 26.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -40.06 144.93 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 1.0 109.265 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -49.25 -24.94 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 1.0 108.282 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -117.96 66.69 0.35 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.561 1.163 . . . . 1.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.2 t -100.85 167.46 10.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 0.754 . . . . 1.0 110.03 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.31 131.21 37.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 1.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.44 38.82 96.93 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 1.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.411 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 18.2 m -136.51 -145.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -89.31 82.1 6.56 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.001 -1.0 . . . . 1.0 109.734 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -133.1 54.77 1.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 1.0 109.254 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.13 96.49 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 1.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.3 mp -97.42 19.95 12.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -97.43 -7.05 32.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 1.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.54 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -86.47 -50.47 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 1.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 2.2 tppt? 90.34 -21.02 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 1.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -161.96 134.39 5.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 1.0 109.338 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 140.26 175.77 14.67 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 1.0 111.012 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.31 10.87 6.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 1.0 110.262 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.71 33.66 5.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 1.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -132.91 151.55 52.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 1.0 110.028 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.472 ' O ' ' CGD' ' A' ' 305' ' ' HEM . 43.9 tp -110.03 42.39 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -134.36 -36.2 0.89 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.816 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.435 ' O ' ' CD2' ' A' ' 66' ' ' TYR . 84.0 t80 -87.01 4.18 42.94 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 118.918 -0.563 . . . . 1.0 109.84 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.4 m -124.47 1.2 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 1.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.486 ' CG2' ' O1D' ' A' ' 305' ' ' HEM . 2.3 t -103.32 -46.53 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 1.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.682 ' O ' ' C ' ' A' ' 70' ' ' ALA . 38.0 m80 -94.16 -80.81 0.39 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.96 -1.018 . . . . 1.0 109.775 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.682 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 12.15 92.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.84 21.27 7.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 1.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.12 -157.75 25.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.113 . . . . 1.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -83.87 105.12 14.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 1.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.514 ' CD1' ' CB ' ' A' ' 70' ' ' ALA . 79.6 mt -113.47 -178.91 3.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 1.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -50.38 71.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 1.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.553 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 18.9 m80 -108.8 -139.71 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.0 109.588 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.2 m -124.16 104.68 8.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 1.0 110.38 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -67.35 165.96 15.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 1.0 109.96 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.417 ' C ' ' N ' ' A' ' 81' ' ' ALA . 9.2 m -61.47 -66.86 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 1.0 108.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -48.42 -22.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 1.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -65.16 -69.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 1.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 85' ' ' LYS . 47.7 t -51.73 -61.84 2.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 1.0 108.292 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -37.75 -29.69 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.74 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' CYS . 5.6 t -59.3 -49.05 79.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 1.0 110.056 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 82' ' ' CYS . 0.0 OUTLIER -68.21 -37.05 80.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.424 HG12 ' CD1' ' A' ' 97' ' ' LEU . 80.7 t -57.0 -48.07 82.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 1.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.532 ' CG2' ' CG2' ' A' ' 98' ' ' THR . 24.2 t -55.58 -20.46 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 1.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.54 10.33 13.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -125.69 -45.29 1.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 1.0 110.279 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -122.16 75.32 40.72 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 1.0 109.26 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -45.41 -22.89 1.09 Allowed 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.301 3.334 . . . . 1.0 109.621 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -85.46 20.29 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 1.0 110.302 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 90' ' ' LYS . 6.6 mp -130.45 13.7 5.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 1.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.411 ' O ' ' OG1' ' A' ' 98' ' ' THR . 21.1 tttt -61.17 -58.47 8.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.91 35.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 1.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.497 ' OD2' ' CG ' ' A' ' 104' ' ' LYS . 0.8 OUTLIER -133.05 -46.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.424 ' CD1' HG12 ' A' ' 86' ' ' VAL . 7.8 mt -101.68 -15.06 17.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.532 ' CG2' ' CG2' ' A' ' 87' ' ' VAL . 1.2 p -136.58 38.46 2.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 1.0 110.41 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.64 130.92 10.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 1.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 76.8 m -70.06 -29.91 67.03 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.81 170.9 15.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 1.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 47.27 39.34 8.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 1.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 94.5 p -121.64 -168.31 1.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 1.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.497 ' CG ' ' OD2' ' A' ' 96' ' ' ASP . 0.1 OUTLIER -92.52 7.15 44.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 1.0 109.329 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.07 -54.12 2.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 1.0 108.336 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -113.44 65.04 1.08 Allowed Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.779 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo . . . . . 0 N--CA 1.448 -1.188 0 C-N-CA 124.267 3.311 . . . . 1.0 109.577 179.886 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.736 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.411 ' C2C' ' HB3' ' A' ' 51' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.407 ' NA ' ' CE1' ' A' ' 25' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.53 ' CMC' ' CBC' ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 122.107 0.956 . . . . 1.0 109.318 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -61.19 155.54 50.64 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.337 3.358 . . . . 1.0 109.62 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.46 125.32 25.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 1.0 109.255 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.0 p -53.36 125.51 43.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 1.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.68 125.47 12.22 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.328 3.352 . . . . 1.0 109.566 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.6 p30 -85.39 9.09 16.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 1.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.22 147.44 44.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 1.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -79.37 126.31 6.79 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.303 3.335 . . . . 1.0 109.583 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.481 HG21 ' CGD' ' A' ' 233' ' ' HEM . 19.0 m -101.35 141.79 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.0 109.327 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.36 141.39 50.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 1.0 110.262 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 12' ' ' LYS . 34.0 t -114.57 64.81 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 1.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 11' ' ' VAL . 6.8 mmtt -39.37 146.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 1.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -144.44 -149.87 5.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.447 1.092 . . . . 1.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.447 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -57.36 -73.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 1.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.427 ' N ' ' OG ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -146.03 46.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 110.325 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.556 ' HD2' ' CE1' ' A' ' 106' ' ' HIS . 0.2 OUTLIER -162.4 110.28 1.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 1.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.6 m -81.77 134.78 35.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 1.0 110.355 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.4 t -139.43 127.46 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 1.0 109.284 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -103.16 136.6 42.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.683 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 22.6 t80 -117.63 122.91 30.26 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 1.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.507 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 34.4 Cg_endo -87.39 137.95 4.47 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.302 3.335 . . . . 1.0 109.589 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' HIS . 4.7 m80 -87.45 -33.11 19.16 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 124.134 0.896 . . . . 1.0 109.785 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.681 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -47.71 -54.87 19.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 1.0 109.243 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.681 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 26.2 Cg_exo -65.02 -4.95 9.86 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.313 3.342 . . . . 1.0 109.586 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.467 ' CD2' ' CBC' ' A' ' 233' ' ' HEM . 70.3 m80 -133.65 38.75 3.23 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 124.159 0.912 . . . . 1.0 109.78 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.539 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 10.6 tt0 -101.4 7.69 42.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 1.0 110.311 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.45 -4.8 10.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 1.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.2 t -102.47 117.68 48.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 1.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.418 ' OE1' ' CG1' ' A' ' 31' ' ' VAL . 0.3 OUTLIER -39.5 134.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.075 . . . . 1.0 110.323 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.6 m -49.77 -61.13 2.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 1.0 108.315 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' CYS . 7.6 p -40.27 -52.93 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 1.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' VAL . 3.7 m -36.9 -32.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.592 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.9 OUTLIER -110.4 -54.22 2.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 1.0 108.283 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -83.61 75.25 10.06 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.008 -0.996 . . . . 1.0 109.782 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -48.65 159.71 0.22 Allowed 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.118 0.886 . . . . 1.0 109.778 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.42 150.74 25.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 1.0 109.286 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.2 t -124.56 113.07 34.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 1.0 109.248 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 52.83 40.69 31.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 1.0 109.279 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.01 31.39 61.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.118 . . . . 1.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.45 93.13 3.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.787 . . . . 1.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -44.25 124.19 3.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 1.0 110.317 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.2 t -134.21 158.55 43.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 1.0 110.035 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -142.89 56.72 1.41 Allowed 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.029 -0.987 . . . . 1.0 109.854 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.86 148.7 23.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -39.98 142.8 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 1.0 109.254 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.58 -36.57 35.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 1.0 108.313 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.09 51.43 0.96 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 1.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.451 ' OG ' ' CMC' ' A' ' 251' ' ' HEM . 0.0 OUTLIER -69.35 154.34 42.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 1.0 109.983 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.0 98.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 1.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.81 -40.35 2.35 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 1.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 55.6 m -63.53 -129.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.317 -0.994 . . . . 1.0 108.317 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -86.04 72.13 10.48 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.999 -1.001 . . . . 1.0 109.772 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -126.81 51.49 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 1.0 109.318 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -150.95 90.67 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 1.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.447 ' CD1' ' HA ' ' A' ' 14' ' ' SER . 0.5 OUTLIER -97.69 20.49 11.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 1.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.56 -5.88 24.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 1.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -85.9 -49.64 7.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 1.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 11.8 tptm 90.65 -23.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 1.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -164.44 125.34 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 1.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 154.53 -177.99 31.57 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.106 . . . . 1.0 111.047 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -85.09 14.54 4.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 1.0 110.338 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 1.7 mttt -136.06 40.19 2.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 1.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -135.47 143.86 46.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 1.0 110.03 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.6 tp -101.94 38.67 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 1.0 109.353 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -131.5 -37.39 1.21 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.827 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -87.77 -2.0 58.33 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 118.944 -0.551 . . . . 1.0 109.861 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.7 m -118.69 2.32 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -101.79 -49.27 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 1.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.688 ' O ' ' C ' ' A' ' 70' ' ' ALA . 31.4 m80 -92.95 -80.13 0.38 Allowed 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.988 -1.006 . . . . 1.0 109.763 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.688 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 11.69 89.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 1.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -91.93 29.63 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 1.0 110.282 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.87 -164.23 18.57 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 1.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -79.14 102.03 8.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 1.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.474 HD13 ' CB ' ' A' ' 70' ' ' ALA . 86.4 mt -110.09 158.82 17.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 1.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -45.31 -31.78 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 1.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -123.68 -142.73 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 1.0 109.595 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.9 m -126.77 105.15 8.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 1.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -68.6 165.78 18.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 1.0 110.008 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 16.2 m -60.92 -67.03 0.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 1.0 108.329 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.96 -22.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 1.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.82 -70.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 1.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 85' ' ' LYS . 52.5 t -49.86 -60.01 3.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 1.0 108.27 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -40.39 -30.8 0.12 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.024 -0.989 . . . . 1.0 109.798 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -48.99 67.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 1.0 109.986 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 82' ' ' CYS . 0.0 OUTLIER -66.73 -38.65 87.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 1.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.4 t -59.89 -49.86 82.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 1.0 109.258 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.403 ' O ' ' HB3' ' A' ' 91' ' ' PRO . 3.3 t -53.96 -32.08 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.78 -9.64 39.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 1.0 109.258 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.67 -43.42 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 1.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.503 ' O ' ' CD2' ' A' ' 93' ' ' LEU . 4.8 ttmt -127.31 72.82 77.37 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 1.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.403 ' HB3' ' O ' ' A' ' 87' ' ' VAL . 60.8 Cg_endo -80.57 29.8 0.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.332 3.355 . . . . 1.0 109.619 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.463 ' CG ' HD21 ' A' ' 93' ' ' LEU . 13.0 pt-20 -87.58 22.78 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 1.0 110.31 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.563 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -119.24 -70.89 0.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 1.0 109.298 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.5 tttt 74.66 -74.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 1.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.99 44.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 1.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.475 ' CB ' ' HB3' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -130.34 -44.91 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.462 ' CD1' ' HG ' ' A' ' 93' ' ' LEU . 74.5 mt -106.65 -19.02 13.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 1.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.2 p -131.29 27.38 4.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 1.0 110.396 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.57 133.24 11.23 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.552 1.157 . . . . 1.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 68.2 m -69.08 -29.4 67.5 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.291 -1.003 . . . . 1.0 108.291 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -139.94 172.85 12.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 45.79 38.05 3.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 1.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.3 p -119.98 -177.29 3.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 1.0 109.948 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.29 -0.5 55.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 1.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.421 ' C ' ' CD ' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -108.54 -49.46 3.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 1.0 108.31 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.556 ' CE1' ' HD2' ' A' ' 16' ' ' LYS . 91.6 m-70 -117.19 58.06 2.11 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.75 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 106' ' ' HIS . 55.5 Cg_endo . . . . . 0 N--CA 1.447 -1.238 0 C-N-CA 124.327 3.352 . . . . 1.0 109.621 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.683 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.451 ' CMC' ' OG ' ' A' ' 48' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.411 ' CMC' ' CBC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.537 ' CMC' ' CBC' ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 122.107 0.956 . . . . 1.0 109.312 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -44.51 121.48 3.29 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.331 3.354 . . . . 1.0 109.582 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -43.44 125.48 3.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 1.0 109.272 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.7 p -59.46 116.72 17.51 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 1.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -45.86 135.08 13.95 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.315 3.343 . . . . 1.0 109.626 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -84.23 7.46 19.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 1.0 109.306 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.23 152.62 77.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 1.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -74.84 162.98 36.5 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.252 3.301 . . . . 1.0 109.615 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.13 144.32 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 1.0 109.28 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -82.85 145.99 29.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.0 110.325 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.462 HG23 ' CGD' ' A' ' 233' ' ' HEM . 15.0 t -120.59 69.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 1.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.76 141.41 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.68 -149.36 5.54 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 1.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.434 ' OG ' ' N ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -57.76 -74.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 1.0 110.024 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.434 ' N ' ' OG ' ' A' ' 14' ' ' SER . 0.7 OUTLIER -147.19 46.65 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 1.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -161.05 94.17 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 1.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.3 m -70.95 133.7 46.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 1.0 110.416 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.2 t -140.42 127.01 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 1.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.8 ptp -103.06 138.83 39.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 1.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.753 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 19.5 t80 -116.04 124.44 29.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 1.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.512 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 32.5 Cg_endo -87.85 138.6 4.36 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.278 3.319 . . . . 1.0 109.582 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' HIS . 8.0 m80 -87.64 -33.26 18.89 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 124.1 0.875 . . . . 1.0 109.753 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.683 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -47.95 -54.82 21.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 1.0 109.311 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.683 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 26.1 Cg_exo -65.31 -5.19 10.72 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.323 3.349 . . . . 1.0 109.616 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' HIS . 70.1 m80 -134.7 40.57 2.95 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 124.172 0.92 . . . . 1.0 109.762 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.18 9.74 39.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 1.0 110.314 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.3 -3.5 9.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 1.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.7 t -103.34 123.02 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 1.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 32' ' ' THR . 2.2 mt-10 -44.63 134.07 5.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 1.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.6 m -49.99 -59.32 3.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 1.0 108.274 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 32' ' ' THR . 7.4 p -39.48 -48.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 1.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.404 ' CB ' ' O ' ' A' ' 29' ' ' GLU . 2.0 m -38.71 -39.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 110.397 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.608 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 1.3 m -105.37 -54.95 2.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 1.0 108.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -82.77 72.87 9.84 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.989 -1.005 . . . . 1.0 109.761 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.525 ' HB2' ' CD2' ' A' ' 76' ' ' HIS . 5.2 p80 -48.53 160.55 0.16 Allowed 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.201 0.938 . . . . 1.0 109.765 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.41 147.53 29.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 1.0 109.321 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -121.21 113.09 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 52.71 41.24 31.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 1.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.96 35.08 62.71 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.55 1.156 . . . . 1.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -133.91 96.11 3.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 0.8 . . . . 1.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.34 123.03 3.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 1.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.7 t -137.86 158.68 43.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 1.0 109.959 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -140.95 56.35 1.56 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.939 -1.028 . . . . 1.0 109.814 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.47 144.92 25.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 1.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.48 149.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 1.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -36.0 29.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 108.285 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -107.71 62.69 0.29 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.479 1.112 . . . . 1.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.8 t -96.51 168.2 10.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.774 . . . . 1.0 110.005 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.8 p -53.39 128.28 27.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 61.73 51.76 55.24 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.153 . . . . 1.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.436 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 22.3 m -148.31 -142.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.329 -0.989 . . . . 1.0 108.329 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -90.77 82.91 5.69 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.026 -0.988 . . . . 1.0 109.763 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -134.42 48.94 2.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.078 . . . . 1.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -147.2 97.26 2.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.03 18.95 11.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 1.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.87 -38.53 8.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 1.0 110.414 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.549 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -55.79 -56.15 23.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 1.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.1 OUTLIER 91.11 -25.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 1.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.0 pttp -153.22 136.51 15.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 1.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.46 -179.38 17.8 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.571 1.17 . . . . 1.0 110.96 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.427 ' OE2' ' N ' ' A' ' 61' ' ' GLU . 3.7 pm0 -85.08 15.17 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 1.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -131.95 36.97 3.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 1.0 109.35 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -134.12 143.82 48.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 1.0 109.967 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 36.1 tp -101.65 37.74 1.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 109.298 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -131.54 -35.58 1.3 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.022 -0.99 . . . . 1.0 109.835 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -87.68 -0.79 57.38 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.861 -0.59 . . . . 1.0 109.822 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 m -120.47 1.89 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 1.0 109.321 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -102.3 -45.58 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 1.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.672 ' O ' ' C ' ' A' ' 70' ' ' ALA . 34.4 m80 -96.42 -81.19 0.42 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.773 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.672 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 14.97 85.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 1.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -85.14 13.39 6.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 1.0 110.324 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.93 -168.93 36.5 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 1.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -80.75 105.69 12.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 1.0 110.327 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.528 ' CD1' ' CB ' ' A' ' 70' ' ' ALA . 36.8 mt -112.06 173.81 6.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -49.5 -51.07 38.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 1.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.525 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 15.8 m80 -107.98 -139.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 1.0 109.59 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.2 m -125.78 104.76 8.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 1.0 110.449 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.78 166.5 13.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 1.0 109.974 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 81' ' ' ALA . 10.9 m -61.5 -67.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 1.0 108.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.3 mm? -48.24 -22.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.469 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -64.52 -70.53 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 1.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.416 ' HB3' ' C2C' ' A' ' 282' ' ' HEM . 51.1 t -50.54 -58.67 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 1.0 108.306 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -41.42 -28.19 0.11 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.797 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 2.4 t -58.67 -46.34 87.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 1.0 110.015 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -71.94 -39.3 69.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 1.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 89' ' ' GLU . 72.5 t -53.96 -44.69 62.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 1.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.54 ' CG2' ' CG2' ' A' ' 98' ' ' THR . 24.2 t -54.75 -28.9 20.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 1.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.09 12.22 10.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 1.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 86' ' ' VAL . 0.6 OUTLIER -123.37 -41.63 2.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 1.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 93' ' ' LEU . 3.3 tttt -124.38 78.25 61.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.45 -15.92 4.57 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.25 3.3 . . . . 1.0 109.627 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.86 30.03 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.076 . . . . 1.0 110.28 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 90' ' ' LYS . 77.7 mt -109.03 -60.39 1.76 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 1.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt 51.65 -92.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 93' ' ' LEU . 82.2 mttt -104.29 40.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 1.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.437 ' CB ' HD23 ' A' ' 93' ' ' LEU . 73.7 m-20 -108.44 -49.89 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 1.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.468 ' HG ' ' CD2' ' A' ' 93' ' ' LEU . 6.5 mt -108.17 -10.05 15.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 1.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.54 ' CG2' ' CG2' ' A' ' 87' ' ' VAL . 5.5 p -140.13 38.43 1.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 1.0 110.399 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -102.36 127.99 9.4 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 1.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 73.4 m -70.14 -30.16 67.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.295 -1.002 . . . . 1.0 108.295 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -146.25 169.6 18.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 1.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 106' ' ' HIS . 39.6 mttt 45.11 49.51 9.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 1.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.9 p -132.18 -166.85 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.19 2.75 51.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 1.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -117.62 -53.63 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 1.0 108.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 102' ' ' LYS . 88.6 m-70 -115.29 81.64 8.5 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.756 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo . . . . . 0 N--CA 1.446 -1.269 0 C-N-CA 124.368 3.378 . . . . 1.0 109.573 179.865 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.753 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.436 ' C2C' ' HB3' ' A' ' 51' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.416 ' C2C' ' HB3' ' A' ' 82' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.53 ' CMC' ' CBC' ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 122.078 0.942 . . . . 1.0 109.334 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.452 ' HG2' ' CMA' ' A' ' 233' ' ' HEM . 41.2 Cg_endo -67.76 147.76 76.03 Favored 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.261 3.308 . . . . 1.0 109.613 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 2' ' ' PRO . . . -38.65 119.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 1.0 109.307 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.59 120.35 51.81 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 1.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -74.94 125.5 9.4 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.282 3.321 . . . . 1.0 109.603 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 6' ' ' ASP . 15.0 p-10 -85.11 8.99 16.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 1.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.92 94.8 31.25 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 1.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.427 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 10.4 Cg_exo -39.42 142.62 0.4 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.274 3.316 . . . . 1.0 109.594 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.447 HG21 ' CBD' ' A' ' 233' ' ' HEM . 0.0 OUTLIER -107.88 148.28 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 1.0 109.259 -179.834 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.7 142.04 29.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 1.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.477 HG23 ' CGD' ' A' ' 233' ' ' HEM . 49.1 t -119.85 68.0 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 1.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 80.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 1.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' VAL . . . -56.01 -110.14 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.525 1.141 . . . . 1.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.91 -65.81 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 1.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.64 -60.71 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 1.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.02 134.56 56.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 1.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.2 m -98.16 133.42 42.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 110.408 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.0 t -135.95 128.35 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 1.0 109.354 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.98 135.33 48.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 1.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.726 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 19.9 t80 -111.99 126.12 29.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 1.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.529 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 30.4 Cg_endo -88.51 138.93 3.95 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.32 3.347 . . . . 1.0 109.575 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.414 ' O ' ' N ' ' A' ' 25' ' ' HIS . 5.8 m80 -87.47 -33.13 19.13 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.145 0.903 . . . . 1.0 109.737 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.684 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -48.57 -54.93 22.15 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 1.0 109.275 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.684 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 28.7 Cg_exo -64.92 -5.82 11.47 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.358 3.372 . . . . 1.0 109.582 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.46 ' ND1' ' CE1' ' A' ' 20' ' ' PHE . 62.2 m80 -135.0 40.79 2.89 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 124.202 0.939 . . . . 1.0 109.757 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.45 7.39 42.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 1.0 110.321 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.67 -22.19 9.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.1 t -85.4 122.31 38.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 1.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.439 ' O ' ' CB ' ' A' ' 32' ' ' THR . 1.2 mt-10 -45.67 137.73 5.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 110.299 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 31' ' ' VAL . 4.7 m -50.08 -58.73 4.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 1.0 108.322 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 30' ' ' CYS . 14.4 p -37.88 -47.47 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 1.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.439 ' CB ' ' O ' ' A' ' 29' ' ' GLU . 3.8 m -38.02 -49.06 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 1.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.606 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 1.6 m -97.27 -54.09 3.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 108.256 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -82.83 68.24 9.23 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.017 -0.992 . . . . 1.0 109.744 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.575 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 7.6 p80 -48.7 160.84 0.16 Allowed 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.148 0.905 . . . . 1.0 109.795 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.22 152.02 26.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 1.0 109.309 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 82.6 t -123.2 112.79 35.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 1.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 54.05 40.96 32.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 1.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.59 33.57 62.79 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.524 1.14 . . . . 1.0 111.054 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.68 103.09 6.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 1.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -44.8 129.2 7.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 1.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.525 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 37.6 t -142.75 158.78 43.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 1.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.525 ' CD1' ' C ' ' A' ' 42' ' ' SER . 41.1 m-85 -149.12 55.37 0.99 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.865 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.72 149.37 22.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 1.0 109.356 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -40.63 145.92 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 1.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.77 -24.78 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 1.0 108.297 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 45' ' ' LYS . . . -117.27 66.66 0.33 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.524 1.14 . . . . 1.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.4 t -101.84 168.79 9.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 1.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.1 p -55.62 131.23 45.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 1.0 110.025 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.02 33.76 88.06 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.532 1.145 . . . . 1.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.425 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 13.4 m -134.37 -146.54 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -92.01 73.88 5.57 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.99 -1.005 . . . . 1.0 109.744 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -122.71 52.17 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 1.0 109.302 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -152.14 95.72 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 1.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.8 17.84 9.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -98.28 -50.09 4.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 1.0 110.428 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.537 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -39.62 -54.22 2.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 1.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 90.14 -35.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 1.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -148.05 115.76 6.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 1.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.75 160.32 9.57 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 1.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.83 -17.91 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 1.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 1.5 mptt -99.55 36.17 1.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 1.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 t -131.42 135.48 47.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 1.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.474 ' O ' ' CGD' ' A' ' 305' ' ' HEM . 45.8 tp -99.09 37.62 1.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 1.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -129.86 -34.24 1.74 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.864 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -86.16 -5.0 59.28 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 118.961 -0.542 . . . . 1.0 109.878 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.3 m -116.6 3.36 7.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 1.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.42 ' CG2' ' O2D' ' A' ' 305' ' ' HEM . 2.4 t -102.97 -45.87 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 1.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.694 ' O ' ' C ' ' A' ' 70' ' ' ALA . 44.5 m80 -95.66 -81.48 0.4 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.792 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.694 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 10.36 92.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 1.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.84 22.4 3.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 1.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -101.55 -171.85 28.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 1.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -77.63 95.77 4.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 0.757 . . . . 1.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.469 HD11 ' CB ' ' A' ' 70' ' ' ALA . 73.4 mt -101.15 157.42 16.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 1.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 74' ' ' LEU . 1.5 mmtp -39.72 -33.96 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 1.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 35' ' ' HIS . 5.9 t60 -122.07 -143.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 109.578 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.6 m -125.7 104.48 8.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 1.0 110.447 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -67.76 168.48 11.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 1.0 110.003 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 18.3 m -62.96 -66.21 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 1.0 108.268 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.6 OUTLIER -48.95 -22.48 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 1.0 109.271 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -63.54 -70.9 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 1.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 84' ' ' SER . 52.6 t -49.6 -61.95 1.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 1.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -38.2 -29.28 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.783 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 4.5 t -58.5 -49.05 78.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 1.0 110.02 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 82' ' ' CYS . 0.2 OUTLIER -68.3 -36.66 79.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 1.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.461 HG12 ' CD1' ' A' ' 97' ' ' LEU . 93.1 t -58.83 -49.08 84.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.41 ' CG2' ' CG2' ' A' ' 98' ' ' THR . 6.6 t -54.9 -19.62 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 1.0 109.244 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.99 9.08 13.23 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.528 1.142 . . . . 1.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 86' ' ' VAL . 0.8 OUTLIER -122.17 -44.04 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 1.0 110.28 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 93' ' ' LEU . 5.2 ttmt -122.71 76.62 47.4 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 1.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -46.73 -21.28 1.36 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.327 3.352 . . . . 1.0 109.583 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.457 ' HG3' ' CD2' ' A' ' 93' ' ' LEU . 6.0 pt-20 -87.6 18.19 4.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 1.0 110.287 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 90' ' ' LYS . 3.9 mm? -123.34 8.61 9.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 1.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.402 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -59.29 -52.44 65.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 1.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -89.19 35.84 0.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 1.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.459 ' CB ' HD11 ' A' ' 93' ' ' LEU . 0.7 OUTLIER -140.7 -47.36 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 1.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.461 ' CD1' HG12 ' A' ' 86' ' ' VAL . 34.3 mt -94.0 -19.52 20.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 1.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.41 ' CG2' ' CG2' ' A' ' 87' ' ' VAL . 1.5 p -134.55 38.74 3.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 1.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.38 127.23 9.18 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 1.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 71.7 m -69.21 -30.98 69.26 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.83 166.77 24.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 1.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 46.61 44.76 13.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 1.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.14 -161.15 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 1.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -97.29 12.21 33.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 1.0 109.355 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -127.21 -53.95 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 1.0 108.314 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -110.89 67.56 0.56 Allowed Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.767 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo . . . . . 0 N--CA 1.447 -1.219 0 C-N-CA 124.301 3.334 . . . . 1.0 109.615 179.845 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.726 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.604 ' CMD' ' CGD' ' A' ' 251' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.412 ' CMC' ' CBC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.533 ' CMC' ' CBC' ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.427 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 122.054 0.931 . . . . 1.0 109.283 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.503 ' O ' ' CMB' ' A' ' 233' ' ' HEM . 88.5 Cg_exo -40.72 118.38 0.62 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.348 3.366 . . . . 1.0 109.603 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -41.28 123.27 2.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 1.0 109.358 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.85 122.5 79.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 1.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -72.75 123.41 8.97 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.294 3.329 . . . . 1.0 109.618 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -87.06 11.0 14.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 109.306 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.43 87.64 21.17 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 1.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.473 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 16.8 Cg_exo -42.42 148.86 0.37 Allowed 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.316 3.344 . . . . 1.0 109.616 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.33 148.17 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 1.0 109.313 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.59 146.99 27.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 1.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.477 HG22 ' CGD' ' A' ' 233' ' ' HEM . 19.0 t -123.74 75.38 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 1.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.9 90.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 1.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.439 ' HA2' ' CGD' ' A' ' 305' ' ' HEM . . . -66.32 -147.53 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 1.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -60.19 3.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 1.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -148.51 47.23 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 1.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.39 111.44 1.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 1.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 91.9 m -79.47 129.12 34.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 1.0 110.396 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 t -140.01 126.54 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 1.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -107.79 134.23 51.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 1.0 111.017 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.635 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 23.8 t80 -110.86 123.41 35.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 1.0 110.956 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.533 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 32.6 Cg_endo -87.98 140.1 4.78 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 124.315 3.344 . . . . 1.0 109.564 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' HIS . 3.9 m80 -87.3 -34.34 18.92 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.107 0.88 . . . . 1.0 109.754 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.688 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -48.28 -55.19 19.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 1.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.688 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 31.6 Cg_exo -62.78 -6.93 10.03 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.3 3.333 . . . . 1.0 109.599 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.476 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 69.9 m80 -132.9 40.78 3.21 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 124.161 0.913 . . . . 1.0 109.754 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.565 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 24.6 tt0 -101.18 6.43 43.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 1.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -122.03 -0.78 9.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 1.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.1 t -102.31 125.47 56.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 1.0 109.249 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -44.68 126.49 5.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 1.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.8 m -47.65 -60.64 2.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.127 . . . . 1.0 108.274 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 32' ' ' THR . 2.9 p -39.63 -52.06 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 1.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 31' ' ' VAL . 2.8 m -36.93 -35.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 1.0 110.417 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.568 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.5 OUTLIER -107.13 -51.44 2.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 1.0 108.285 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -84.84 65.53 9.2 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.751 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.406 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 2.0 p80 -43.06 159.83 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.606 0 O-C-N 124.178 0.924 . . . . 1.0 109.759 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.442 ' N ' ' CD2' ' A' ' 36' ' ' LEU . 1.4 mt -84.02 148.35 26.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.4 t -117.52 112.49 39.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 1.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 54.5 40.75 32.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 1.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.03 40.09 72.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.545 1.153 . . . . 1.0 111.044 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -127.7 113.56 16.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 1.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.85 98.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 1.0 110.318 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -126.21 157.35 38.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 1.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -139.21 54.08 1.72 Allowed 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.041 -0.981 . . . . 1.0 109.804 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.66 140.57 30.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 1.0 109.335 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.34 145.51 47.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 1.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 1.48 ' SG ' ' CAB' ' A' ' 251' ' ' HEM . 0.1 OUTLIER -48.83 174.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 1.0 108.276 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.57 47.98 56.46 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.472 1.107 . . . . 1.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.0 t -115.08 167.58 10.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 1.0 109.957 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 t -64.67 130.3 43.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 1.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.406 ' C ' ' SG ' ' A' ' 51' ' ' CYS . . . 70.2 41.89 68.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 1.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.406 ' SG ' ' C ' ' A' ' 50' ' ' GLY . 17.6 m -150.81 -145.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.323 -0.992 . . . . 1.0 108.323 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -88.16 96.81 10.68 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.99 -1.004 . . . . 1.0 109.791 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -146.45 53.51 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 1.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.67 95.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 1.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.04 19.27 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 1.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.05 -6.23 28.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 1.0 110.395 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.55 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -84.74 -50.85 7.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 1.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.55 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 91.08 -27.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 1.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -155.1 136.32 13.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 1.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 137.01 178.71 16.05 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 1.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -84.01 13.27 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 0.744 . . . . 1.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -128.54 35.58 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 1.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -133.9 147.78 51.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 1.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 35.7 tp -105.91 40.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 1.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.517 ' CD1' ' O1A' ' A' ' 305' ' ' HEM . 5.7 t80 -133.2 -37.16 0.98 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.842 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -86.87 1.39 52.65 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.89 -0.576 . . . . 1.0 109.798 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.1 m -123.0 0.45 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 1.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -102.43 -45.26 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 1.0 109.245 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.682 ' O ' ' C ' ' A' ' 70' ' ' ALA . 35.7 m80 -96.2 -81.19 0.41 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.037 -0.983 . . . . 1.0 109.773 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.682 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 13.39 90.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 1.0 109.325 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.4 ' H ' ' CD ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -91.55 21.41 4.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 1.0 110.315 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -101.86 -161.33 26.71 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 1.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.37 102.69 12.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 1.0 110.308 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.51 ' CD1' ' CB ' ' A' ' 70' ' ' ALA . 59.4 mt -110.97 171.14 7.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 1.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -50.92 37.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 1.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.406 ' CD2' ' HB3' ' A' ' 35' ' ' HIS . 12.9 t60 -108.15 -139.7 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 1.0 109.609 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.2 m -125.96 104.68 8.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 1.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -66.22 166.6 11.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 1.0 110.061 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 81' ' ' ALA . 9.0 m -61.52 -66.16 0.58 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 1.0 108.262 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -48.73 -22.24 0.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 1.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -65.45 -71.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 1.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 85' ' ' LYS . 54.0 t -49.09 -65.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 1.0 108.257 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -34.41 -35.58 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.988 -1.006 . . . . 1.0 109.796 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 1.3 t -53.36 -50.75 64.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 1.0 110.004 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 82' ' ' CYS . 2.8 mmtm -66.2 -37.32 85.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 1.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.535 ' CG1' ' CD1' ' A' ' 97' ' ' LEU . 91.3 t -59.35 -52.09 64.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 1.0 109.258 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.468 ' CG2' HG23 ' A' ' 98' ' ' THR . 3.0 t -54.35 -19.85 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 1.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.86 8.4 12.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 1.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 86' ' ' VAL . 1.9 tt0 -121.65 -42.87 2.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 1.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -121.65 75.63 35.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -45.84 -21.83 1.08 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.295 3.33 . . . . 1.0 109.627 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -85.01 20.14 1.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 110.323 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 90' ' ' LYS . 5.9 mp -130.81 15.09 5.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 1.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -56.04 -56.96 14.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 1.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.11 36.21 0.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 1.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.0 -45.75 1.03 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 1.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.535 ' CD1' ' CG1' ' A' ' 86' ' ' VAL . 32.6 mt -94.32 -33.33 13.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 1.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.468 HG23 ' CG2' ' A' ' 87' ' ' VAL . 13.4 p -124.16 44.96 2.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 110.43 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.25 125.8 8.7 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.139 . . . . 1.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.3 m -70.28 -30.19 67.14 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.345 -0.983 . . . . 1.0 108.345 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.8 167.34 22.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 1.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.36 44.75 1.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 1.0 109.262 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.426 ' OG ' ' N ' ' A' ' 104' ' ' LYS . 3.1 p -119.56 -151.73 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 1.0 110.027 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.443 ' HA ' ' CE ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -106.43 16.88 24.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 1.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.83 -52.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 1.0 108.272 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -111.67 66.4 0.68 Allowed Pre-proline 0 CA--C 1.54 0.569 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.749 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo . . . . . 0 N--CA 1.447 -1.239 0 C-N-CA 124.301 3.334 . . . . 1.0 109.588 179.842 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.635 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 1.48 ' CAB' ' SG ' ' A' ' 46' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.424 ' CMC' ' CBC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.52 ' CMC' ' CBC' ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 122.119 0.961 . . . . 1.0 109.26 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -73.28 154.31 51.33 Favored 'Trans proline' 0 N--CA 1.447 -1.206 0 C-N-CA 124.291 3.328 . . . . 1.0 109.621 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.52 124.04 20.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 1.0 109.305 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.86 124.36 57.52 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 1.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.15 130.93 19.69 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.298 3.332 . . . . 1.0 109.584 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -84.03 7.25 19.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 1.0 109.274 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.9 148.12 42.68 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 1.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -78.62 137.91 14.84 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.35 3.367 . . . . 1.0 109.581 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.47 131.99 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 1.0 109.296 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.19 143.53 52.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.3 t -124.62 71.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 1.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 94.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.5 -150.01 1.47 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 1.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -62.42 1.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 0.719 . . . . 1.0 110.048 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -146.0 46.55 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.93 125.83 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 1.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.7 m -93.61 120.04 33.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 1.0 110.391 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.4 t -129.24 126.22 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 1.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -99.86 136.86 39.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 1.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.67 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 24.6 t80 -117.21 122.85 30.65 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 1.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.514 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 34.5 Cg_endo -88.25 138.83 4.13 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.305 3.337 . . . . 1.0 109.622 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 25' ' ' HIS . 5.0 m80 -87.63 -33.49 18.81 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 124.137 0.898 . . . . 1.0 109.783 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.683 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -47.61 -54.79 20.15 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 1.0 109.295 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.683 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 39.7 Cg_exo -63.93 -5.5 9.26 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.316 3.344 . . . . 1.0 109.598 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 22' ' ' HIS . 69.9 m80 -134.32 40.19 3.03 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.115 0.885 . . . . 1.0 109.77 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.13 6.33 44.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 1.0 110.286 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.43 -21.57 10.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 1.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.3 t -85.52 120.94 36.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 1.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.49 137.05 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 1.0 110.258 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 34' ' ' HIS . 7.5 m -49.39 -61.44 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 1.0 108.292 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.456 ' CG2' HD23 ' A' ' 36' ' ' LEU . 4.2 p -40.14 -52.18 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 1.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' VAL . 2.9 m -37.09 -32.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 1.0 110.383 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.61 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.9 OUTLIER -111.1 -54.72 2.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 1.0 108.32 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.4 m-70 -82.9 73.82 9.91 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 114.955 -1.021 . . . . 1.0 109.72 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.446 ' HB2' ' CD2' ' A' ' 76' ' ' HIS . 2.9 p80 -47.82 161.66 0.09 Allowed 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.148 0.905 . . . . 1.0 109.733 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.456 HD23 ' CG2' ' A' ' 31' ' ' VAL . 5.1 mt -85.85 150.6 24.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 1.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.7 t -118.85 112.57 38.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 54.74 41.29 32.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 1.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.2 38.5 67.7 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 1.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.03 125.54 23.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 1.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -48.46 125.73 10.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.595 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 33.5 t -135.48 150.08 49.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 1.0 110.039 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 42' ' ' SER . 73.2 m-85 -156.97 46.53 0.41 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.01 -0.996 . . . . 1.0 109.802 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 45' ' ' LYS . . . -96.65 153.03 18.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 1.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' ALA . 1.5 mmtp -39.89 148.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.9 -32.91 15.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 108.332 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.21 65.97 0.31 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 1.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -98.45 168.26 10.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 0.777 . . . . 1.0 109.974 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.2 p -48.05 121.77 4.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 1.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.07 45.94 68.94 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 1.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.425 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 14.0 m -144.43 -145.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -92.66 73.92 5.03 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.766 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -126.73 53.89 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 1.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -159.39 94.55 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 1.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.451 ' CD2' ' HB3' ' A' ' 64' ' ' LEU . 4.2 mm? -90.56 15.32 11.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 1.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.8 m -72.19 -19.82 61.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 1.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.61 161.05 14.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 1.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.574 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 50.9 tttt -101.35 -4.3 27.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 1.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.67 132.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 1.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 155.95 157.4 8.27 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 1.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.74 -16.88 12.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 0.727 . . . . 1.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -108.95 39.31 2.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 1.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 t -134.47 139.47 45.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 1.0 109.982 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.451 ' HB3' ' CD2' ' A' ' 55' ' ' LEU . 44.4 tp -99.03 37.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 1.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 3.6 t80 -129.89 -34.53 1.71 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.962 -1.017 . . . . 1.0 109.849 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.45 ' CD2' ' O1A' ' A' ' 251' ' ' HEM . 82.6 t80 -87.57 -1.56 58.02 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 118.871 -0.585 . . . . 1.0 109.799 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.3 m -119.59 5.06 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 1.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -106.19 -42.92 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 1.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.684 ' O ' ' C ' ' A' ' 70' ' ' ALA . 36.3 m80 -98.91 -82.25 0.44 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.035 -0.984 . . . . 1.0 109.736 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.684 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 12.98 90.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 1.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.67 28.1 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 1.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.94 -166.92 20.68 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 1.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -78.43 102.52 7.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 0.793 . . . . 1.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.46 HD12 ' CB ' ' A' ' 70' ' ' ALA . 82.0 mt -110.0 157.59 19.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 1.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.71 -31.21 1.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 1.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.446 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 19.9 m80 -122.17 -142.46 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 1.0 109.553 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 28.4 m -128.99 104.76 7.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 1.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -69.12 166.73 17.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 1.0 109.985 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.412 ' C ' ' N ' ' A' ' 81' ' ' ALA . 6.1 m -62.15 -66.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 1.0 108.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -48.18 -23.05 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 1.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.436 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -64.05 -69.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 1.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 84' ' ' SER . 42.1 t -53.18 -62.54 1.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 1.0 108.313 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -37.95 -29.25 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.745 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 82' ' ' CYS . 3.1 p -58.2 -52.09 67.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 1.0 110.016 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 82' ' ' CYS . 0.1 OUTLIER -66.38 -36.66 83.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 1.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 89' ' ' GLU . 54.6 t -54.0 -40.42 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 1.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.482 ' HA ' ' CD2' ' A' ' 93' ' ' LEU . 29.4 t -54.65 -28.48 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 1.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.92 13.11 9.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 1.0 109.255 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 86' ' ' VAL . 1.1 tp10 -125.01 -41.59 2.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.88 77.1 75.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 1.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.54 -12.72 9.0 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.335 3.357 . . . . 1.0 109.584 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -86.93 30.06 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 110.294 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.577 ' CD1' ' N ' ' A' ' 94' ' ' LYS . 1.8 pp -114.41 -51.81 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 1.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.577 ' N ' ' CD1' ' A' ' 93' ' ' LEU . 0.0 OUTLIER 49.3 -91.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 1.0 109.339 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -105.49 41.82 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 1.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.486 ' HB2' ' CA ' ' A' ' 93' ' ' LEU . 7.6 m-20 -111.05 -38.92 4.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 1.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.4 mt -113.18 -11.53 13.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.6 p -144.27 40.84 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.0 110.376 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.2 128.06 9.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 1.0 110.997 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 79.3 m -70.17 -31.84 69.51 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.413 ' O ' ' CG ' ' A' ' 102' ' ' LYS . . . -140.56 173.85 11.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 1.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER 46.5 31.44 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 1.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.5 t -114.85 179.91 3.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 1.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.561 ' HZ2' ' N ' ' A' ' 105' ' ' CYS . 0.0 OUTLIER -86.0 -3.25 58.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.561 ' N ' ' HZ2' ' A' ' 104' ' ' LYS . 0.8 OUTLIER -103.73 -39.17 6.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 1.0 108.306 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.557 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 81.5 m-70 -130.08 51.04 6.77 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 114.952 -1.022 . . . . 1.0 109.767 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 106' ' ' HIS . 28.7 Cg_endo . . . . . 0 N--CA 1.447 -1.223 0 C-N-CA 124.326 3.351 . . . . 1.0 109.589 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.67 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.45 ' O1A' ' CD2' ' A' ' 66' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.419 ' CMC' ' CBC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.522 ' CMC' ' CBC' ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 122.079 0.942 . . . . 1.0 109.266 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.473 ' HG2' ' CMA' ' A' ' 233' ' ' HEM . 37.8 Cg_endo -62.88 125.76 16.64 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.292 3.328 . . . . 1.0 109.621 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -41.81 129.5 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 1.0 109.284 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.6 p -42.8 128.4 3.13 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 1.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.415 ' HG2' ' ND1' ' A' ' 22' ' ' HIS . 25.7 Cg_endo -63.11 138.31 66.55 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.323 3.349 . . . . 1.0 109.573 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -94.96 25.42 4.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 1.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.483 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -152.63 146.82 18.56 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 1.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.483 ' HD2' ' CG ' ' A' ' 7' ' ' LYS . 57.1 Cg_endo -70.1 135.25 29.19 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.293 3.329 . . . . 1.0 109.64 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.7 m -104.39 144.37 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 1.0 109.262 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.52 140.82 44.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 1.0 110.289 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.1 t -121.21 69.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 1.0 109.311 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -43.62 127.22 4.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 1.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.46 ' HA2' ' CGD' ' A' ' 305' ' ' HEM . . . -114.61 -153.31 10.61 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.5 1.125 . . . . 1.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.475 ' HB3' ' CBA' ' A' ' 305' ' ' HEM . 0.1 OUTLIER -55.7 -71.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 1.0 110.047 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.57 43.43 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 1.0 110.238 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -161.83 137.66 7.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 1.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.6 m -99.47 130.82 45.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.0 110.411 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.5 t -133.27 126.62 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 1.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.64 130.02 51.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 1.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.75 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 22.3 t80 -111.06 124.2 33.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 111.023 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.499 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 33.7 Cg_endo -87.97 138.65 4.29 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.367 3.378 . . . . 1.0 109.561 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 25' ' ' HIS . 7.7 m80 -88.06 -32.68 18.63 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 124.135 0.897 . . . . 1.0 109.767 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.673 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -47.84 -54.27 25.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 1.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.673 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 27.6 Cg_exo -65.47 -4.97 10.46 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.307 3.338 . . . . 1.0 109.58 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.473 ' CD2' ' CBC' ' A' ' 233' ' ' HEM . 69.5 m80 -133.7 38.84 3.22 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 124.104 0.877 . . . . 1.0 109.739 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.56 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 8.4 tt0 -100.3 6.73 44.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.0 110.275 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -116.06 -9.19 11.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 1.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 t -99.27 125.1 52.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 1.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.96 136.67 11.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 1.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 34' ' ' HIS . 7.1 m -49.58 -61.52 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 1.0 108.326 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 32' ' ' THR . 3.4 p -40.31 -52.2 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' VAL . 3.1 m -37.05 -34.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 1.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.614 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.9 OUTLIER -108.35 -55.51 2.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 1.0 108.283 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.5 m-70 -82.1 74.79 9.05 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.957 -1.019 . . . . 1.0 109.713 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.476 ' CG ' ' CE1' ' A' ' 76' ' ' HIS . 3.5 p80 -48.47 161.64 0.12 Allowed 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.162 0.914 . . . . 1.0 109.78 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.52 155.36 21.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 1.0 109.34 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.7 t -120.73 113.54 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 1.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 57.21 41.65 26.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.22 33.5 70.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.568 1.168 . . . . 1.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -137.01 126.9 25.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 1.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -43.8 143.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 1.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.484 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -149.13 147.81 28.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 1.0 110.0 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.484 ' CD1' ' O ' ' A' ' 42' ' ' SER . 79.1 m-85 -154.72 43.1 0.49 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.019 -0.991 . . . . 1.0 109.818 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.13 148.41 22.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 109.336 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.95 144.23 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 1.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -47.02 -32.18 3.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 1.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.25 63.86 0.28 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.549 1.156 . . . . 1.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.8 t -97.93 168.4 10.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 0.745 . . . . 1.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.5 t -54.55 133.11 46.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 1.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.12 37.32 94.28 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 1.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.9 m -136.31 -145.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.27 -1.011 . . . . 1.0 108.27 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -89.57 80.33 6.69 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.76 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -129.91 55.86 1.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 1.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.61 89.37 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 1.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.08 -17.17 61.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 1.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' ALA . 1.8 m -72.09 -33.35 67.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 110.366 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.523 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -39.54 -62.55 0.67 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 1.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 89.95 -35.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 1.0 109.347 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.72 125.35 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 1.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.21 -178.18 29.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.125 . . . . 1.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.93 15.57 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 1.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -135.87 39.47 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 1.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -134.68 149.29 50.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 1.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.415 ' CD2' ' CGD' ' A' ' 305' ' ' HEM . 39.8 tp -106.58 40.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -132.42 -37.29 1.08 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.967 -1.015 . . . . 1.0 109.829 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -86.58 -4.45 59.17 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 118.843 -0.599 . . . . 1.0 109.782 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.4 m -115.58 2.58 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 1.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.436 HG12 ' CE1' ' A' ' 69' ' ' HIS . 2.3 t -100.47 -49.71 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 1.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.676 ' O ' ' C ' ' A' ' 70' ' ' ALA . 22.4 m80 -94.46 -79.7 0.42 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.76 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.676 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 14.56 90.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 1.0 109.275 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.37 21.8 5.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 1.0 110.33 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.72 -164.61 25.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 1.0 111.042 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.78 105.07 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.75 . . . . 1.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.507 ' CD1' ' CB ' ' A' ' 70' ' ' ALA . 74.7 mt -114.19 172.68 6.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 1.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -51.28 63.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 1.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.476 ' CE1' ' CG ' ' A' ' 35' ' ' HIS . 8.9 m80 -107.33 -139.37 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 1.0 109.604 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.3 m -126.23 103.97 7.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -65.13 167.09 8.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 1.0 110.007 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 14.7 m -62.43 -66.15 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 1.0 108.322 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.76 -21.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 1.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -65.5 -70.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 1.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.2 t -50.13 -57.81 6.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 1.0 108.321 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.412 ' ND1' ' HB3' ' A' ' 97' ' ' LEU . 11.7 m170 -42.46 -31.34 0.42 Allowed 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 114.979 -1.01 . . . . 1.0 109.791 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 0.8 OUTLIER -58.4 -47.0 85.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 1.0 110.005 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.43 -38.84 74.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.463 HG11 ' CD1' ' A' ' 97' ' ' LEU . 72.2 t -53.89 -37.63 34.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.132 . . . . 1.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 79.5 t -55.18 -23.8 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 1.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.96 11.74 10.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -116.22 -38.08 3.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 1.0 110.314 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.414 ' N ' ' HD3' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -130.6 65.18 75.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 1.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 90' ' ' LYS . 63.5 Cg_exo -46.57 -21.89 1.54 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.337 3.358 . . . . 1.0 109.588 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -85.22 29.27 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 110.338 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.529 ' O ' ' C ' ' A' ' 94' ' ' LYS . 14.7 mt -135.04 -74.3 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.529 ' C ' ' O ' ' A' ' 93' ' ' LEU . 2.4 tttm 30.79 53.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 1.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.5 OUTLIER -175.87 -64.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 1.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.05 -28.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 1.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.463 ' CD1' HG11 ' A' ' 86' ' ' VAL . 12.1 mt -107.74 -26.77 10.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 1.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 95' ' ' LYS . 7.2 p -125.32 56.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 1.0 110.408 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -116.57 128.38 7.91 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 1.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.1 m -72.32 -31.54 65.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.32 -0.993 . . . . 1.0 108.32 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -149.77 172.63 14.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 1.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 44.68 41.52 5.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 1.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.9 p -124.71 -162.39 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 1.0 109.961 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -94.3 8.72 40.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 1.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.402 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.6 OUTLIER -122.41 -53.23 1.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 1.0 108.321 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -112.28 65.79 0.78 Allowed Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.775 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.402 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 58.7 Cg_endo . . . . . 0 N--CA 1.448 -1.198 0 C-N-CA 124.334 3.356 . . . . 1.0 109.546 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.75 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.606 ' CMD' ' CGD' ' A' ' 251' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.415 ' CMC' ' CBC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.543 ' CMC' ' CBC' ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.539 ' CB ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 122.053 0.93 . . . . 1.0 109.309 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 1' ' ' ALA . 11.4 Cg_exo -72.99 153.37 52.43 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.268 3.312 . . . . 1.0 109.597 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.94 121.66 15.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 1.0 109.286 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.1 p -62.94 121.4 68.44 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 1.0 109.306 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -76.2 125.46 8.54 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.336 3.357 . . . . 1.0 109.555 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -87.57 11.46 14.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 1.0 109.267 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.06 88.87 23.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -41.2 144.01 0.67 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.344 3.362 . . . . 1.0 109.553 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.68 146.27 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 1.0 109.341 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.92 141.48 32.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 1.0 110.354 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 18' ' ' VAL . 13.4 t -118.45 79.3 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 1.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -65.61 98.44 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 1.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.61 -148.5 1.6 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 1.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -65.86 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 1.0 110.015 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -143.15 45.19 1.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 1.0 110.281 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.83 133.13 6.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 1.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.0 m -95.3 126.82 40.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 1.0 110.43 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 11' ' ' VAL . 40.5 t -132.69 125.99 53.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 1.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -105.48 134.56 48.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 1.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.631 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 19.2 t80 -113.22 124.46 31.42 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 1.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.518 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 34.2 Cg_endo -87.54 138.77 4.67 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.335 3.357 . . . . 1.0 109.59 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' HIS . 4.8 m80 -87.18 -34.06 19.15 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 124.116 0.885 . . . . 1.0 109.736 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.689 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -47.74 -55.23 18.04 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 1.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.689 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 27.8 Cg_exo -64.57 -5.35 9.97 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.33 3.354 . . . . 1.0 109.609 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' HIS . 72.6 m80 -134.39 40.16 3.02 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.149 0.906 . . . . 1.0 109.759 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.21 9.7 38.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -121.99 -3.2 9.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.4 t -102.5 124.62 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 1.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -43.7 127.23 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 1.0 110.307 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.4 m -45.74 -60.36 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 1.0 108.303 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' CYS . 4.0 t -40.53 -51.86 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 1.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 31' ' ' VAL . 3.5 m -37.5 -31.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 110.372 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.569 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.5 OUTLIER -110.99 -50.89 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 1.0 108.323 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -85.88 73.8 10.28 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.746 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -50.45 160.33 0.41 Allowed 'General case' 0 CA--C 1.539 0.538 0 O-C-N 124.131 0.895 . . . . 1.0 109.739 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.482 ' N ' ' CD2' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -83.65 152.34 24.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 1.0 109.311 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.8 t -122.03 111.66 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 1.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 52.39 40.62 29.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 1.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.82 33.21 62.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 1.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -129.27 109.27 10.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 1.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -45.28 122.06 3.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 1.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.424 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 12.0 t -135.17 158.43 44.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 1.0 109.997 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.525 ' CD2' ' HG2' ' A' ' 2' ' ' PRO . 75.9 m-85 -152.45 56.17 0.81 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.044 -0.98 . . . . 1.0 109.819 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -110.32 151.03 27.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 1.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -53.31 153.32 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 1.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.9 m -53.44 -35.91 61.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 1.0 108.344 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.61 56.45 1.95 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.116 . . . . 1.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.8 t -104.91 166.83 10.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 1.0 109.965 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.1 p -51.66 121.38 6.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 1.0 109.99 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.61 55.57 24.41 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.535 1.147 . . . . 1.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.1 m -149.3 -142.9 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.354 -0.98 . . . . 1.0 108.354 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -92.25 84.6 5.24 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.026 -0.988 . . . . 1.0 109.758 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 14.6 p-10 -132.64 61.27 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.34 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -159.94 98.04 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 1.0 109.341 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.414 ' CD2' ' HB3' ' A' ' 64' ' ' LEU . 3.6 mm? -91.04 15.86 10.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 1.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -105.4 -43.48 4.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 1.0 110.389 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.539 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -37.75 -55.91 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 1.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.539 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER 90.5 -37.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 1.0 109.279 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -153.83 134.54 13.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 1.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 140.01 -177.9 20.23 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 1.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -85.33 15.68 4.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 1.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -133.64 38.54 3.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 1.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 t -135.39 142.89 45.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 1.0 110.015 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.414 ' HB3' ' CD2' ' A' ' 55' ' ' LEU . 44.6 tp -102.46 39.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 1.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.432 ' CE2' ' HE2' ' A' ' 58' ' ' LYS . 5.5 t80 -131.73 -35.31 1.28 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.835 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -88.02 -1.15 57.82 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.933 -0.556 . . . . 1.0 109.817 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.2 m -119.0 2.0 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 1.0 109.29 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.429 HG11 ' CE1' ' A' ' 69' ' ' HIS . 2.2 t -100.75 -48.68 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 1.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.676 ' O ' ' C ' ' A' ' 70' ' ' ALA . 27.3 m80 -94.53 -79.86 0.41 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.737 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.676 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 13.94 87.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 1.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.401 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -89.26 21.48 3.25 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.49 1.119 . . . . 1.0 110.279 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.93 -168.85 26.18 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 1.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -77.75 104.11 8.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 1.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.465 HD13 ' CB ' ' A' ' 70' ' ' ALA . 69.2 mt -110.5 166.15 11.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 1.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -31.38 23.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 1.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -124.0 -145.27 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.152 . . . . 1.0 109.589 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.7 m -124.36 104.89 9.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 1.0 110.403 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -68.8 166.51 17.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 1.0 109.988 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.41 ' C ' ' N ' ' A' ' 81' ' ' ALA . 17.4 m -61.53 -66.99 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 1.0 108.325 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 80' ' ' LEU . 1.3 mm? -47.89 -22.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 1.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.423 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -63.82 -70.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 1.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 85' ' ' LYS . 49.7 t -49.59 -59.7 3.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 1.0 108.296 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -40.29 -28.01 0.05 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.049 -0.978 . . . . 1.0 109.775 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 4.6 t -65.27 -50.77 64.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 1.0 109.986 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 82' ' ' CYS . 0.0 OUTLIER -66.09 -38.96 89.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 1.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 44.4 t -55.85 -46.15 79.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 69.6 t -55.6 -27.03 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 1.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.04 2.62 19.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 1.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.15 -46.73 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 1.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.427 ' O ' ' CD1' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -128.44 74.82 79.79 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -81.33 22.8 0.79 Allowed 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.309 3.339 . . . . 1.0 109.567 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.3 25.68 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 1.0 110.339 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 96' ' ' ASP . 0.0 OUTLIER -123.06 -63.77 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 1.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 93' ' ' LEU . 10.4 tttt 70.09 -94.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 1.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.83 36.25 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 1.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.485 ' CB ' ' HB3' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -119.86 -41.21 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 1.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.48 ' CD1' HD21 ' A' ' 93' ' ' LEU . 10.7 mt -109.08 -25.26 10.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 1.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.9 p -129.17 36.69 4.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 1.0 110.404 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.09 130.67 10.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.109 . . . . 1.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 74.8 m -69.3 -29.86 67.81 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.298 -1.001 . . . . 1.0 108.298 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -140.0 173.13 11.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 1.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.6 mttt 44.31 46.41 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 1.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 71.7 p -129.99 -174.91 3.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 1.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -85.72 -6.24 59.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 1.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.1 m -104.51 -46.25 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 1.0 108.327 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -123.4 81.76 53.07 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 114.993 -1.003 . . . . 1.0 109.776 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo . . . . . 0 N--CA 1.447 -1.254 0 C-N-CA 124.336 3.357 . . . . 1.0 109.565 179.927 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.631 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.416 ' C2C' ' HB3' ' A' ' 82' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.592 ' O2D' ' C3D' ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.49 ' CB ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 122.059 0.933 . . . . 1.0 109.325 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.504 ' O ' ' CMB' ' A' ' 233' ' ' HEM . 8.0 Cg_exo -74.36 149.24 39.62 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.322 3.348 . . . . 1.0 109.619 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.56 122.12 16.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 1.0 109.291 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.9 p -58.85 121.79 57.11 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 1.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.38 125.51 9.12 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.338 3.359 . . . . 1.0 109.622 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -87.67 11.79 14.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 1.0 109.344 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.28 88.18 22.24 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 1.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -41.3 143.24 0.84 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.342 3.361 . . . . 1.0 109.601 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.32 147.85 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 109.317 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.38 142.87 31.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 1.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' VAL . 19.3 t -117.32 71.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 1.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -59.34 95.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 1.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.71 -146.51 0.7 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 1.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.402 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -56.62 -65.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 1.0 110.007 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.91 44.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 1.0 110.248 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.39 132.94 7.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 1.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.7 m -97.61 121.21 39.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 1.0 110.394 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 11' ' ' VAL . 47.2 t -127.57 126.19 66.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 1.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.0 ptp -103.41 134.13 47.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.702 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 21.1 t80 -112.73 124.92 30.78 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 1.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.52 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 32.9 Cg_endo -87.59 138.38 4.49 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.385 3.39 . . . . 1.0 109.57 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.408 ' O ' ' N ' ' A' ' 25' ' ' HIS . 4.5 m80 -87.92 -32.62 18.83 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 124.159 0.912 . . . . 1.0 109.76 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.684 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -48.74 -55.0 22.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.684 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 27.0 Cg_exo -64.75 -5.49 10.52 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.305 3.337 . . . . 1.0 109.619 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.443 ' CD2' ' CBC' ' A' ' 233' ' ' HEM . 70.1 m80 -133.91 39.13 3.16 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 124.105 0.878 . . . . 1.0 109.771 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.5 6.1 44.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 1.0 110.296 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.15 -19.77 10.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 1.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -86.46 125.13 40.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 1.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.4 133.89 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 1.0 110.3 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' VAL . 8.2 m -48.85 -61.77 1.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 1.0 108.293 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' CYS . 2.6 t -39.9 -51.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 1.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' VAL . 2.3 m -37.39 -35.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 1.0 110.432 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.603 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.8 OUTLIER -107.43 -52.35 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 1.0 108.306 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -84.94 72.42 10.8 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.779 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.672 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 2.2 p80 -47.78 160.68 0.12 Allowed 'General case' 0 CA--C 1.54 0.567 0 O-C-N 124.13 0.894 . . . . 1.0 109.756 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.65 154.92 24.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 1.0 109.355 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.9 t -125.03 112.6 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 1.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 54.74 40.33 31.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 1.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.78 32.4 61.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 1.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.92 102.75 5.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 1.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -43.96 129.56 5.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.458 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 41.4 t -146.68 157.68 43.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 1.0 110.008 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 42' ' ' SER . 29.5 m-85 -143.32 56.77 1.38 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.827 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' LYS . . . -96.93 149.23 22.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 1.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' ALA . 17.5 tttt -40.01 149.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 1.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -47.51 -38.06 13.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 1.0 108.29 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.32 63.85 0.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.1 . . . . 1.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' SER . 28.1 t -97.83 167.56 10.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 1.0 110.035 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' SER . 1.6 t -39.14 123.52 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 1.0 110.033 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.06 55.31 31.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 1.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.439 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 14.2 m -146.13 -145.76 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.277 -1.009 . . . . 1.0 108.277 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -94.73 82.15 3.89 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.94 -1.027 . . . . 1.0 109.77 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -134.05 54.33 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 1.0 109.283 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -158.41 93.08 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 1.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 14' ' ' SER . 5.2 mp -89.79 14.38 12.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 1.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.0 m -71.47 -20.82 62.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 1.0 110.436 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.97 161.67 14.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 1.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.443 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -101.83 -4.69 25.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 1.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -171.79 132.75 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 150.25 157.89 7.96 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 1.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.64 -27.27 48.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 0.776 . . . . 1.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 54' ' ' ASP . 0.5 OUTLIER -94.67 33.13 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 1.0 109.268 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.4 t -131.76 137.08 48.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 1.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.497 ' O ' ' CGD' ' A' ' 305' ' ' HEM . 48.2 tp -99.74 36.66 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.443 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 5.8 t80 -129.28 -34.71 1.83 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.949 -1.023 . . . . 1.0 109.814 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.621 ' O ' ' CD2' ' A' ' 66' ' ' TYR . 67.2 t80 -88.92 10.58 20.84 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.895 -0.574 . . . . 1.0 109.819 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.8 m -131.43 9.34 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 1.0 109.31 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.1 t -115.74 -49.02 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 1.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.697 ' O ' ' C ' ' A' ' 70' ' ' ALA . 48.4 m80 -89.48 -63.77 1.24 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 114.944 -1.026 . . . . 1.0 109.76 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.697 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . -6.19 109.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 1.0 109.307 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -103.83 17.5 23.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 1.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.54 -179.47 32.27 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.528 1.142 . . . . 1.0 111.031 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -71.55 94.23 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 1.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.451 HD12 ' CB ' ' A' ' 70' ' ' ALA . 44.7 mt -98.12 155.75 16.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 1.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -43.03 -28.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 1.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.672 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 8.9 m-70 -124.87 -142.63 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 1.0 109.621 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.9 m -131.18 106.24 8.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 110.38 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -67.01 166.47 13.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 1.0 109.968 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.4 ' C ' ' N ' ' A' ' 81' ' ' ALA . 13.8 m -62.17 -67.1 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 1.0 108.288 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -48.0 -23.26 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 1.0 109.338 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -64.19 -70.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 1.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 46.0 t -50.51 -55.52 15.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 1.0 108.328 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -45.25 -25.65 0.4 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.975 -1.011 . . . . 1.0 109.724 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 2.5 t -61.18 -48.94 79.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 109.999 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -69.44 -37.14 77.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 1.0 109.272 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.469 HG13 ' CD1' ' A' ' 97' ' ' LEU . 85.4 t -56.57 -42.14 75.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 1.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.2 t -54.47 -23.06 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.95 13.34 9.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 1.0 109.36 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -116.71 -36.8 3.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 1.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.417 ' N ' ' HD3' ' A' ' 91' ' ' PRO . 3.2 tttt -130.5 65.85 77.01 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 1.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 90' ' ' LYS . 56.7 Cg_exo -47.54 -21.38 2.16 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.346 3.364 . . . . 1.0 109.583 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -85.07 28.38 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 1.0 110.323 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.55 ' O ' ' C ' ' A' ' 94' ' ' LYS . 32.5 mt -133.9 -74.68 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 1.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.55 ' C ' ' O ' ' A' ' 93' ' ' LEU . 3.9 ttmt 28.84 62.46 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 1.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.515 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.1 OUTLIER 177.31 -60.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 1.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.41 -20.39 4.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 1.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.469 ' CD1' HG13 ' A' ' 86' ' ' VAL . 17.6 mt -111.59 -33.38 6.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.8 p -127.48 57.02 1.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 1.0 110.379 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -116.97 126.55 7.02 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 1.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.9 m -70.75 -30.21 66.66 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -147.67 163.66 35.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 1.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt 50.8 57.09 7.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 1.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.9 p -140.97 -153.56 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 1.0 109.971 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.61 16.11 24.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 1.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.23 -51.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.179 . . . . 1.0 108.29 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -118.72 82.65 20.64 Favored Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.755 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo . . . . . 0 N--CA 1.448 -1.204 0 C-N-CA 124.326 3.351 . . . . 1.0 109.598 179.867 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.702 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.439 ' C2C' ' HB3' ' A' ' 51' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.426 ' CMC' ' CBC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.537 ' CMC' ' CBC' ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.481 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 122.067 0.937 . . . . 1.0 109.328 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.481 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 61.1 Cg_endo -67.02 144.39 69.69 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.334 3.356 . . . . 1.0 109.592 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.33 127.93 34.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 1.0 109.31 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.5 p -46.77 121.83 6.91 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 1.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -75.95 127.02 9.75 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.343 3.362 . . . . 1.0 109.589 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -87.98 11.06 16.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 1.0 109.313 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 92.06 27.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 1.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.464 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 12.6 Cg_exo -40.94 140.69 1.1 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.278 3.319 . . . . 1.0 109.614 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.02 147.32 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.0 109.284 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' O ' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -82.05 141.53 33.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 110.264 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.509 ' CG2' ' CGD' ' A' ' 233' ' ' HEM . 33.9 t -119.87 68.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 1.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.55 80.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 1.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' VAL . . . -55.73 -109.87 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.113 . . . . 1.0 111.036 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.69 -65.37 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 1.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.97 -60.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 1.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 137.02 57.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 1.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.3 m -97.84 133.61 42.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 1.0 110.38 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.9 t -136.03 127.79 44.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 1.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.5 130.84 55.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 1.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.741 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 19.5 t80 -106.41 125.65 32.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 1.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.522 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 29.8 Cg_endo -88.85 139.42 3.83 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.29 3.326 . . . . 1.0 109.626 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' HIS . 7.5 m80 -87.54 -33.6 18.88 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 124.164 0.915 . . . . 1.0 109.787 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.681 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -48.23 -54.8 22.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.681 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 38.3 Cg_exo -63.85 -6.35 10.77 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.357 3.372 . . . . 1.0 109.597 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.458 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 65.1 m80 -134.13 41.26 2.99 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 124.185 0.928 . . . . 1.0 109.793 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.24 5.84 46.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 1.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.98 -21.81 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 1.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.6 t -84.89 125.26 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 1.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.43 ' HB2' ' OG1' ' A' ' 32' ' ' THR . 6.9 mm-40 -50.11 137.73 17.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 1.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' VAL . 4.0 m -50.94 -58.33 6.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 1.0 108.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' CYS . 3.6 p -37.33 -50.02 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 1.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 31' ' ' VAL . 1.9 m -35.96 -53.11 0.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 1.0 110.363 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.589 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 1.9 m -92.29 -54.72 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 1.0 108.288 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.403 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.1 m-70 -82.08 67.95 8.28 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.768 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -48.14 160.37 0.15 Allowed 'General case' 0 CA--C 1.539 0.537 0 O-C-N 124.191 0.932 . . . . 1.0 109.801 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.23 150.96 28.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 1.0 109.278 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.1 t -122.85 112.67 34.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 1.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t0 54.09 40.78 31.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 1.0 109.254 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.11 34.69 62.68 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 1.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -133.77 102.13 5.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 1.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.2 128.19 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 1.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.461 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 30.9 t -140.97 156.47 46.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 1.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 42' ' ' SER . 49.4 m-85 -147.16 56.44 1.12 Allowed 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.834 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.47 145.51 26.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.409 ' C ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -39.84 144.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 1.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.35 -24.86 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 1.0 108.282 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 45' ' ' LYS . . . -116.07 65.17 0.32 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 1.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -105.53 168.88 8.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.76 . . . . 1.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.0 m -59.31 135.36 57.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 1.0 109.997 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.75 38.98 96.99 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 1.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.441 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 13.8 m -144.25 -145.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.32 -0.993 . . . . 1.0 108.32 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -92.71 78.72 4.81 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.767 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -125.28 57.27 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 1.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.442 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.4 OUTLIER -153.04 91.42 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 1.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.47 -10.29 56.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 1.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 m -71.63 -15.75 62.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 1.0 110.356 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.02 161.33 17.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 1.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.558 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -110.37 -15.45 13.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 1.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -174.12 138.59 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 1.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 146.3 157.26 7.24 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.595 1.185 . . . . 1.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -18.38 11.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 0.791 . . . . 1.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 2.6 mttp -105.25 35.02 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 1.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -131.75 134.19 45.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.158 . . . . 1.0 110.013 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 42.0 tp -95.59 34.42 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 1.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 2.3 t80 -127.1 -33.33 2.43 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.974 -1.012 . . . . 1.0 109.829 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -87.61 -2.75 58.83 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 118.882 -0.58 . . . . 1.0 109.84 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.3 m -119.57 5.24 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 1.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 t -106.17 -44.17 7.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 1.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.694 ' O ' ' C ' ' A' ' 70' ' ' ALA . 47.0 m80 -97.15 -81.72 0.42 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.044 -0.98 . . . . 1.0 109.795 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.694 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 10.73 90.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 1.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.16 24.78 2.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 1.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.05 -165.49 24.92 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 1.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -81.56 98.62 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 1.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.477 HD12 ' CB ' ' A' ' 70' ' ' ALA . 75.9 mt -105.36 157.93 16.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -42.87 -36.19 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -117.41 -142.14 0.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 1.0 109.623 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.5 m -128.7 103.97 7.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 1.0 110.434 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -67.41 167.36 12.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 1.0 110.029 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 12.8 m -62.14 -65.87 0.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 1.0 108.3 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.6 OUTLIER -49.5 -22.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 1.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.8 -69.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 109.27 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 85' ' ' LYS . 51.5 t -51.15 -60.57 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 1.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -39.78 -33.01 0.17 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.743 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.09 -46.73 84.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 1.0 110.022 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 82' ' ' CYS . 0.8 OUTLIER -68.75 -36.82 78.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 1.0 109.283 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.469 HG12 ' CD1' ' A' ' 97' ' ' LEU . 92.8 t -59.2 -41.87 85.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 1.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.9 t -54.88 -25.03 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 1.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.92 12.35 9.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 1.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 86' ' ' VAL . 4.2 tt0 -115.87 -36.3 4.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 1.0 110.249 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.428 ' N ' ' HD3' ' A' ' 91' ' ' PRO . 3.3 tttt -131.85 66.15 77.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 1.0 109.256 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 90' ' ' LYS . 53.1 Cg_exo -48.66 -20.61 2.83 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.268 3.312 . . . . 1.0 109.626 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.76 28.82 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 1.0 110.273 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.505 ' O ' ' C ' ' A' ' 94' ' ' LYS . 15.3 mt -135.33 -74.26 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 1.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER 31.12 68.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 1.0 109.271 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 98' ' ' THR . 0.5 OUTLIER 171.2 -65.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 1.0 109.328 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 95' ' ' LYS . 1.6 t70 -39.42 -30.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.469 ' CD1' HG12 ' A' ' 86' ' ' VAL . 10.3 mt -106.58 -30.17 9.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 1.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.462 ' O ' ' O ' ' A' ' 95' ' ' LYS . 44.2 p -109.8 -143.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 1.0 110.412 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 64.18 133.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.52 1.137 . . . . 1.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.506 ' SG ' ' CMB' ' A' ' 305' ' ' HEM . 83.4 m -74.58 -29.92 61.51 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.286 -1.005 . . . . 1.0 108.286 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.86 166.52 22.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 1.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.29 44.79 24.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 1.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.2 p -130.08 -179.58 5.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 1.0 110.028 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.73 3.59 50.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 1.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.443 ' C ' ' CD ' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -109.06 -49.54 3.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 1.0 108.3 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.48 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 90.0 m-70 -118.05 55.59 2.16 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 115.068 -0.969 . . . . 1.0 109.771 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 106' ' ' HIS . 38.4 Cg_endo . . . . . 0 N--CA 1.447 -1.215 0 C-N-CA 124.359 3.372 . . . . 1.0 109.56 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.741 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.441 ' C2C' ' HB3' ' A' ' 51' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.425 ' CMC' ' CBC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.578 ' C2A' ' O2A' ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 122.128 0.966 . . . . 1.0 109.272 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.513 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 9.8 Cg_endo -48.92 155.77 2.44 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.324 3.35 . . . . 1.0 109.593 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.55 118.85 17.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 1.0 109.344 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.6 p -62.49 123.29 78.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 1.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -72.03 126.78 12.15 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.286 3.324 . . . . 1.0 109.617 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -76.62 -1.84 29.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 1.0 109.282 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -110.9 148.46 38.66 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 1.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -79.37 142.13 16.44 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.3 3.333 . . . . 1.0 109.584 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 m -105.05 142.72 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 1.0 109.366 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.49 141.03 34.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 1.0 110.273 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.43 HG21 ' CGD' ' A' ' 233' ' ' HEM . 20.4 t -122.46 69.53 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -52.65 103.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 1.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.17 -149.61 7.79 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.539 1.149 . . . . 1.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.477 ' HB3' ' CAA' ' A' ' 305' ' ' HEM . 0.0 OUTLIER -54.7 -67.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 1.0 110.0 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.04 43.74 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 110.25 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.27 137.56 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 1.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.5 m -98.53 128.11 44.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 1.0 110.41 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.7 t -131.28 125.92 57.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 1.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -101.88 130.44 48.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 1.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.68 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 23.3 t80 -112.5 123.01 34.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 1.0 110.996 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.52 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 35.1 Cg_endo -87.22 137.49 4.41 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.345 3.364 . . . . 1.0 109.56 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 25' ' ' HIS . 4.8 m80 -88.03 -32.84 18.59 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.189 0.931 . . . . 1.0 109.753 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.677 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -47.53 -55.19 17.6 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 1.0 109.294 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.677 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 24.3 Cg_exo -64.94 -4.6 9.13 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.315 3.343 . . . . 1.0 109.622 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.488 ' CD2' ' CBC' ' A' ' 233' ' ' HEM . 70.6 m80 -133.47 38.39 3.28 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.178 0.924 . . . . 1.0 109.756 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.541 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 6.6 tt0 -102.08 8.4 40.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.0 110.307 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.56 -5.64 10.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 1.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.8 t -103.71 117.23 48.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 1.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -39.18 137.67 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 1.0 110.276 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 31' ' ' VAL . 5.3 m -51.93 -61.91 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 1.0 108.289 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' CYS . 2.9 p -38.73 -55.71 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 1.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 31' ' ' VAL . 7.9 m -34.77 -35.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.0 110.394 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.592 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.9 OUTLIER -106.16 -54.79 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 1.0 108.322 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -83.33 68.66 9.77 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.986 -1.006 . . . . 1.0 109.776 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.546 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 2.1 p80 -40.39 159.18 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.1 0.875 . . . . 1.0 109.75 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.79 152.17 24.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 1.0 109.31 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.3 t -121.58 111.71 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 1.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.16 40.47 31.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 1.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.42 33.42 66.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 1.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.18 101.99 5.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 1.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -43.71 130.48 5.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 1.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.414 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 10.6 t -146.03 154.2 41.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.996 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.513 ' CG ' ' HG3' ' A' ' 2' ' ' PRO . 23.4 m-85 -140.39 54.75 1.61 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.891 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.455 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -92.13 145.3 24.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 1.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.403 ' C ' ' N ' ' A' ' 47' ' ' GLY . 2.5 ttmt -39.84 143.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 1.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.471 ' HB2' ' CGD' ' A' ' 233' ' ' HEM . 0.1 OUTLIER -47.84 -27.06 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 1.0 108.299 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 45' ' ' LYS . . . -118.38 67.39 0.35 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.437 1.086 . . . . 1.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.455 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 27.2 t -107.04 165.87 11.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 1.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 m -51.73 136.06 28.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 1.0 110.041 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.41 41.84 98.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.416 1.072 . . . . 1.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.5 m -143.77 -143.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -93.19 82.79 4.56 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.064 -0.971 . . . . 1.0 109.736 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -129.5 55.67 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 109.273 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.5 OUTLIER -153.65 97.9 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 1.0 109.268 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.443 ' CD2' ' CGA' ' A' ' 305' ' ' HEM . 5.8 mt -95.08 18.65 11.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 1.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -108.56 -46.99 3.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 1.0 110.394 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.528 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -37.78 -59.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 1.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.1 OUTLIER 90.33 -37.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 1.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -143.14 128.63 19.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 1.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 145.22 178.44 20.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.477 1.111 . . . . 1.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -88.94 20.81 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 0.788 . . . . 1.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 11.1 mtmt -137.38 46.11 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 1.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 t -136.75 148.14 47.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 1.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.461 ' CD2' ' CGD' ' A' ' 305' ' ' HEM . 47.3 tp -105.32 40.3 1.56 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 1.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -132.77 -36.29 1.06 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.853 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.401 ' O ' ' CD2' ' A' ' 66' ' ' TYR . 81.2 t80 -88.25 2.19 52.86 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 118.883 -0.58 . . . . 1.0 109.813 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.2 m -121.77 5.12 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 1.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.416 HG11 ' C2D' ' A' ' 305' ' ' HEM . 2.1 t -105.61 -49.42 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 1.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.68 ' O ' ' C ' ' A' ' 70' ' ' ALA . 29.2 m80 -92.71 -79.63 0.39 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.997 -1.001 . . . . 1.0 109.721 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.68 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 13.08 90.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 1.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -90.54 26.72 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 1.0 110.335 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.27 -170.35 19.81 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 1.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.54 108.53 7.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 0.727 . . . . 1.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.469 HD13 ' CB ' ' A' ' 70' ' ' ALA . 80.1 mt -116.64 155.57 28.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 1.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -39.98 -30.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 1.0 109.317 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.546 ' CD2' ' HB3' ' A' ' 35' ' ' HIS . 12.0 t60 -126.17 -141.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 1.0 109.649 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.4 m -128.24 104.34 7.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 1.0 110.385 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -66.58 166.18 13.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 109.995 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.413 ' C ' ' N ' ' A' ' 81' ' ' ALA . 12.2 m -60.47 -67.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.0 108.272 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.68 -22.52 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 1.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -65.21 -70.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 1.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 85' ' ' LYS . 51.8 t -48.81 -61.54 1.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 1.0 108.334 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.423 ' ND1' ' HB3' ' A' ' 97' ' ' LEU . 11.9 m170 -38.85 -29.01 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.749 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.432 ' OG ' ' NE ' ' A' ' 71' ' ' ARG . 2.7 t -68.11 -51.9 41.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 1.0 110.032 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 82' ' ' CYS . 7.1 mmtt -63.35 -32.62 74.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 1.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.7 t -65.86 -55.17 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 1.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.4 t -54.41 -28.54 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 1.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.19 -5.6 33.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 1.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.65 -42.23 3.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 1.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.6 72.34 77.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 1.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -82.99 33.42 0.53 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.304 3.336 . . . . 1.0 109.609 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -90.74 30.25 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 1.0 110.326 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.1 mt -134.96 -61.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 1.0 109.259 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER 52.66 58.31 5.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 1.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 94' ' ' LYS . 4.9 mtmt 165.61 -52.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.409 ' C ' ' HG ' ' A' ' 97' ' ' LEU . 3.2 m-20 -70.22 140.95 52.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 1.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.496 ' C ' ' CG2' ' A' ' 98' ' ' THR . 1.9 mt 68.47 4.52 4.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 1.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.496 ' CG2' ' C ' ' A' ' 97' ' ' LEU . 5.6 p -153.15 23.11 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 1.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -106.21 131.45 10.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 1.0 110.957 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 72.6 m -68.98 -28.87 67.01 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.296 -1.002 . . . . 1.0 108.296 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -147.16 171.51 15.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 1.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 106' ' ' HIS . 0.1 OUTLIER 41.04 45.96 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 1.0 109.253 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.5 t -126.26 -164.4 1.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 1.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.96 6.36 42.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 1.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -123.24 -54.15 1.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 1.0 108.25 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 102' ' ' LYS . 92.2 m-70 -110.53 77.67 1.33 Allowed Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 115.017 -0.992 . . . . 1.0 109.785 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo . . . . . 0 N--CA 1.447 -1.248 0 C-N-CA 124.35 3.366 . . . . 1.0 109.592 179.858 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.68 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.418 ' CMD' ' CBD' ' A' ' 251' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.42 ' CMC' ' CBC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.539 ' CMC' ' CBC' ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 122.03 0.919 . . . . 1.0 109.325 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.462 ' O ' ' CMB' ' A' ' 233' ' ' HEM . 76.9 Cg_exo -45.57 120.28 3.21 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.307 3.338 . . . . 1.0 109.608 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 2' ' ' PRO . . . -40.55 122.2 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 1.0 109.314 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.5 p -59.72 113.06 6.27 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.259 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -48.01 127.78 15.42 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.308 3.338 . . . . 1.0 109.611 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -88.03 3.77 47.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 1.0 109.312 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -123.07 96.23 44.98 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 1.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -38.64 146.91 0.13 Allowed 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.336 3.357 . . . . 1.0 109.549 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.72 147.43 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 1.0 109.288 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.05 141.95 28.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 1.0 110.318 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.477 HG23 ' CGD' ' A' ' 233' ' ' HEM . 40.5 t -118.07 83.67 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 1.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -71.36 92.1 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 1.0 109.35 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.06 -146.44 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 1.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.424 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -54.24 -65.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 1.0 109.996 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -146.12 44.19 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 1.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.18 124.77 4.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 1.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.2 m -90.53 129.09 36.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 1.0 110.379 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.5 t -135.23 125.36 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 1.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.2 mtm -96.71 137.73 35.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 1.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.746 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 6.2 t80 -123.34 97.77 42.23 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 1.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.545 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 16.5 Cg_exo -66.88 138.96 50.16 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.306 3.338 . . . . 1.0 109.581 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -84.45 -23.91 29.75 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 124.135 0.897 . . . . 1.0 109.747 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.664 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -50.35 -55.62 24.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 1.0 109.267 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.664 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 25.7 Cg_exo -63.12 -7.11 11.01 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.311 3.341 . . . . 1.0 109.601 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.437 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 51.2 m80 -132.62 40.57 3.26 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 124.174 0.921 . . . . 1.0 109.741 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.25 5.2 44.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 1.0 110.315 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -118.29 -18.29 9.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 1.0 109.279 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 t -85.38 128.8 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 1.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.46 136.92 19.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 1.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' VAL . 6.8 m -54.21 -63.58 1.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 1.0 108.305 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 33' ' ' CYS . 7.5 p -38.9 -55.39 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 1.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' VAL . 10.1 m -35.2 -35.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 1.0 110.366 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.564 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.8 OUTLIER -105.45 -55.03 2.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.175 . . . . 1.0 108.286 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -81.82 76.42 8.72 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.74 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.589 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 2.6 p80 -51.78 159.13 0.86 Allowed 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.141 0.901 . . . . 1.0 109.755 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.01 151.2 23.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 1.0 109.302 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.2 t -116.12 110.76 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 52.0 40.0 27.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 1.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.16 31.29 76.33 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 1.0 110.991 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.73 100.26 6.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 1.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -50.17 119.94 4.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 1.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.2 t -143.68 159.36 42.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 1.0 110.014 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -139.33 55.03 1.69 Allowed 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.821 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.2 147.75 24.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 1.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.53 149.98 9.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 1.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.6 m -51.19 -31.78 21.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 1.0 108.296 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -95.07 55.11 1.83 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.463 1.102 . . . . 1.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.6 t -107.68 168.16 9.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 1.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.41 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 2.7 m -48.38 126.54 11.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 1.0 109.972 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 54.96 55.25 28.88 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 1.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.468 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 14.4 m -145.48 -145.5 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.278 -1.008 . . . . 1.0 108.278 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -94.88 87.45 4.98 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.731 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -138.73 54.62 1.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 1.0 109.324 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -152.8 99.88 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 1.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -92.81 17.73 10.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 1.0 109.339 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.5 -47.69 3.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 1.0 110.345 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -39.24 -61.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 1.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 90.48 -31.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 1.0 109.314 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -143.75 139.77 29.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.157 . . . . 1.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 123.4 178.83 15.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 1.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.07 15.86 3.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 1.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 7.0 mmtt -124.56 34.18 5.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 1.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.2 t -132.17 139.98 48.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 1.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.9 tp -98.91 36.75 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 1.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -130.3 -34.33 1.63 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.007 -0.997 . . . . 1.0 109.805 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -86.97 -2.77 58.87 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 118.917 -0.563 . . . . 1.0 109.834 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.3 m -118.13 3.18 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 1.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 t -102.78 -46.12 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 1.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.668 ' O ' ' C ' ' A' ' 70' ' ' ALA . 31.3 m80 -97.34 -81.32 0.43 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.042 -0.981 . . . . 1.0 109.792 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.668 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 15.7 90.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 1.0 109.317 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.72 26.08 4.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 1.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -107.87 -159.3 20.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.449 1.093 . . . . 1.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.75 105.6 12.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 0.736 . . . . 1.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.481 HD13 ' CB ' ' A' ' 70' ' ' ALA . 81.9 mt -116.23 171.22 7.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -56.55 -50.78 70.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 1.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.589 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 6.8 m-70 -105.7 -139.34 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 1.0 109.546 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.2 m -127.61 104.67 8.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 1.0 110.373 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -66.83 166.98 12.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 1.0 110.027 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.402 ' C ' ' N ' ' A' ' 81' ' ' ALA . 11.2 m -61.36 -67.34 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 1.0 108.318 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -48.08 -23.39 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 1.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -64.24 -71.17 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 1.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 85' ' ' LYS . 54.1 t -49.9 -59.97 3.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 1.0 108.326 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.409 ' ND1' ' HB3' ' A' ' 97' ' ' LEU . 12.4 m170 -40.36 -28.47 0.06 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.021 -0.991 . . . . 1.0 109.759 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 5.3 p -58.79 -45.14 90.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 1.0 110.02 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 82' ' ' CYS . 1.5 tppp? -73.5 -40.74 63.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 1.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.458 ' CG1' HD13 ' A' ' 97' ' ' LEU . 70.0 t -51.34 -42.62 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 1.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.435 ' CG2' HG21 ' A' ' 98' ' ' THR . 56.9 t -54.91 -27.44 18.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 1.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.6 12.63 10.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 1.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 86' ' ' VAL . 0.6 OUTLIER -122.56 -41.33 2.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 1.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -123.71 76.32 56.11 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 1.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -49.66 -18.63 2.77 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.312 3.342 . . . . 1.0 109.577 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.5 28.78 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 1.0 110.32 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 90' ' ' LYS . 3.5 mp -106.64 -59.33 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 1.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.1 tttt 52.26 -91.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 93' ' ' LEU . 10.3 mtmm -107.0 41.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -104.8 -50.22 3.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 1.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.458 HD13 ' CG1' ' A' ' 86' ' ' VAL . 10.7 mt -106.72 -9.64 16.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.435 HG21 ' CG2' ' A' ' 87' ' ' VAL . 8.3 p -138.53 38.13 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 1.0 110.442 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.27 127.7 9.2 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 1.0 111.049 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 73.6 m -69.48 -29.47 67.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -143.42 172.58 12.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 1.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.1 pttt 41.7 36.43 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 1.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 64.2 p -114.28 -170.46 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -89.75 5.66 45.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 1.0 109.238 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.77 -53.72 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 1.0 108.303 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -112.86 65.64 0.9 Allowed Pre-proline 0 CA--C 1.54 0.576 0 CA-C-N 114.987 -1.006 . . . . 1.0 109.752 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo . . . . . 0 N--CA 1.447 -1.234 0 C-N-CA 124.348 3.365 . . . . 1.0 109.558 179.875 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.746 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.468 ' C2C' ' HB3' ' A' ' 51' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.422 ' C2C' ' HB3' ' A' ' 82' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.528 ' CMC' ' CBC' ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 122.055 0.931 . . . . 1.0 109.336 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.48 ' HG2' ' CMA' ' A' ' 233' ' ' HEM . 18.3 Cg_endo -58.29 139.67 91.45 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.282 3.321 . . . . 1.0 109.597 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -50.53 127.12 17.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 109.28 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -46.02 123.55 6.54 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 1.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -71.35 129.35 15.79 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.321 3.347 . . . . 1.0 109.61 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -81.8 4.09 23.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 1.0 109.296 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.72 148.07 39.0 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 1.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -79.42 137.85 13.47 Favored 'Trans proline' 0 N--CA 1.448 -1.181 0 C-N-CA 124.286 3.324 . . . . 1.0 109.596 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -101.78 131.36 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 1.0 109.294 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.22 144.99 54.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 1.0 110.269 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.477 HG13 ' CGD' ' A' ' 233' ' ' HEM . 21.7 t -125.89 72.72 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 1.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -56.46 96.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 1.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.94 -151.16 2.58 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 1.0 111.049 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.419 ' N ' HD23 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -60.19 -62.29 1.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 1.0 109.993 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -146.47 46.34 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -163.41 130.02 3.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.2 m -93.84 127.6 39.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 110.381 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.3 t -136.16 125.81 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.36 135.0 43.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 1.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.649 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 22.7 t80 -114.89 122.95 32.72 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 1.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.51 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 35.3 Cg_endo -87.54 138.53 4.58 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.3 3.333 . . . . 1.0 109.552 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 25' ' ' HIS . 4.3 m80 -87.84 -33.91 18.41 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 124.17 0.919 . . . . 1.0 109.761 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.682 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -47.17 -55.11 16.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 1.0 109.269 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.682 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 31.9 Cg_exo -64.1 -5.33 9.19 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.282 3.322 . . . . 1.0 109.583 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.462 ' N ' ' O ' ' A' ' 22' ' ' HIS . 70.7 m80 -133.85 39.15 3.17 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.148 0.905 . . . . 1.0 109.763 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.71 6.76 44.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 1.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.48 -21.29 10.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 1.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 t -85.87 124.01 39.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -46.29 134.93 8.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 1.0 110.294 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.3 m -48.05 -61.58 1.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 1.0 108.281 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 33' ' ' CYS . 62.4 t -40.38 -51.98 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 1.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' VAL . 2.3 m -37.0 -32.54 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 1.0 110.429 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.607 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.8 OUTLIER -110.6 -53.69 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 1.0 108.275 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -83.97 73.02 10.4 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.027 -0.988 . . . . 1.0 109.787 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -47.66 160.34 0.12 Allowed 'General case' 0 CA--C 1.54 0.57 0 O-C-N 124.205 0.94 . . . . 1.0 109.746 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.18 155.82 22.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 1.0 109.309 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.4 t -118.4 112.49 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 1.0 109.333 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 t0 56.86 41.77 27.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 1.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.95 33.37 73.61 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.529 1.143 . . . . 1.0 111.031 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.25 126.95 27.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 1.0 109.333 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -43.23 143.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.097 . . . . 1.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.59 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -149.65 153.83 37.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 1.0 110.001 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.59 ' CD1' ' O ' ' A' ' 42' ' ' SER . 79.2 m-85 -159.47 47.93 0.3 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.99 -1.005 . . . . 1.0 109.873 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.65 147.42 26.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 109.328 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -42.65 152.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 1.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.83 -36.84 39.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 1.0 108.265 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -108.13 62.8 0.29 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.552 1.158 . . . . 1.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.2 t -98.28 167.1 11.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 1.0 110.025 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.7 p -49.3 129.36 18.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 1.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.79 48.88 82.94 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.163 . . . . 1.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.404 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 16.1 m -144.48 -145.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.256 -1.016 . . . . 1.0 108.256 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -89.93 76.43 7.08 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.983 -1.008 . . . . 1.0 109.78 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -127.43 57.18 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 1.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -161.54 92.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 1.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 14' ' ' SER . 9.6 mp -92.23 15.1 14.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 1.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -75.64 -17.03 60.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 1.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.08 162.24 13.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 1.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.503 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 0.2 OUTLIER -102.79 -7.64 21.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 1.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.39 134.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 1.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 151.81 157.54 7.97 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 1.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -59.59 -14.82 14.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 0.764 . . . . 1.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.53 39.62 1.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 1.0 109.252 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -135.85 140.82 44.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 1.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.467 ' O ' ' CGD' ' A' ' 305' ' ' HEM . 43.8 tp -100.44 37.55 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 1.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.503 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 3.7 t80 -130.13 -33.98 1.7 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.831 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -87.77 -1.63 58.09 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 118.919 -0.562 . . . . 1.0 109.829 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.3 m -120.04 5.69 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 1.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -107.09 -43.22 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.684 ' O ' ' C ' ' A' ' 70' ' ' ALA . 40.8 m80 -98.39 -82.26 0.43 Allowed 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.005 -0.998 . . . . 1.0 109.747 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.684 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 12.68 89.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 1.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.59 21.95 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 1.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.24 -171.53 26.05 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.473 1.108 . . . . 1.0 111.029 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -75.38 103.34 5.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 0.721 . . . . 1.0 110.255 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.46 HD13 ' CB ' ' A' ' 70' ' ' ALA . 73.9 mt -109.83 160.8 16.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.81 -29.99 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 1.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -124.89 -144.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 1.0 109.589 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 22.6 m -126.09 103.97 8.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 1.0 110.351 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -68.18 166.33 16.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 1.0 110.031 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.415 ' C ' ' N ' ' A' ' 81' ' ' ALA . 7.8 m -61.42 -66.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.0 108.309 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.405 ' N ' HD21 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -48.27 -22.37 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 1.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -64.64 -70.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 1.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 84' ' ' SER . 50.7 t -50.74 -63.72 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 1.0 108.281 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -36.06 -31.43 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.975 -1.011 . . . . 1.0 109.734 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 5.1 t -55.99 -51.52 67.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 1.0 110.013 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' CYS . 1.0 OUTLIER -65.74 -36.68 84.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 1.0 109.325 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.424 ' CG1' HD11 ' A' ' 97' ' ' LEU . 87.1 t -58.95 -45.84 91.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 1.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.491 ' CG2' ' CG2' ' A' ' 98' ' ' THR . 8.7 t -54.7 -27.71 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 1.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.06 12.14 10.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 109.261 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -123.64 -42.63 2.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 1.0 110.34 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.432 ' HB3' ' CD1' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -121.3 83.41 39.67 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 1.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -58.95 -9.17 7.21 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.304 3.336 . . . . 1.0 109.61 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.99 30.09 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 110.313 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.443 ' CD1' ' HG ' ' A' ' 97' ' ' LEU . 18.0 mt -113.73 -64.54 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 1.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt 57.55 -90.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 1.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -106.5 40.41 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.36 -47.86 3.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 1.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.443 ' HG ' ' CD1' ' A' ' 93' ' ' LEU . 3.7 mt -100.44 -20.12 15.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 1.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.491 ' CG2' ' CG2' ' A' ' 87' ' ' VAL . 3.2 p -134.92 39.29 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 1.0 110.392 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -98.7 128.48 9.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 1.0 111.029 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 79.0 m -72.67 -30.81 64.58 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.32 -0.993 . . . . 1.0 108.32 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.423 ' C ' ' N ' ' A' ' 103' ' ' SER . . . -142.73 173.5 11.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 1.0 109.341 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.3 mttm 43.8 27.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 1.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 101' ' ' ALA . 43.5 p -106.56 -173.31 2.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 1.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.647 ' NZ ' ' C2A' ' A' ' 282' ' ' HEM . 0.0 OUTLIER -85.74 -7.23 58.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.093 . . . . 1.0 109.33 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.414 ' C ' ' CD ' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -104.51 -47.05 4.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 1.0 108.328 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.475 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 86.5 m-70 -119.92 55.77 3.76 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 115.007 -0.997 . . . . 1.0 109.748 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 106' ' ' HIS . 37.2 Cg_endo . . . . . 0 N--CA 1.447 -1.225 0 C-N-CA 124.333 3.355 . . . . 1.0 109.592 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.649 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.404 ' C2C' ' HB3' ' A' ' 51' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.647 ' C2A' ' NZ ' ' A' ' 104' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.52 ' CMC' ' CBC' ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.484 ' CB ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 122.058 0.932 . . . . 1.0 109.299 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.515 ' HG2' ' CD2' ' A' ' 43' ' ' TYR . 11.7 Cg_exo -72.55 157.96 51.77 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.318 3.345 . . . . 1.0 109.591 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.78 121.82 17.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 1.0 109.323 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.37 121.68 65.16 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 1.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.468 ' HG3' ' CGA' ' A' ' 233' ' ' HEM . 65.5 Cg_endo -76.52 125.17 8.13 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.288 3.325 . . . . 1.0 109.569 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -85.06 8.14 19.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 1.0 109.312 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -114.52 91.0 23.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -39.95 147.27 0.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.334 3.356 . . . . 1.0 109.595 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.27 147.09 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 1.0 109.329 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.37 140.02 29.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 1.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.3 t -118.88 84.52 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 1.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt -89.54 94.4 9.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.86 -131.38 0.35 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.455 1.097 . . . . 1.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -57.96 -73.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 1.0 110.027 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.401 ' N ' ' OG ' ' A' ' 14' ' ' SER . 4.1 tt0 -145.81 46.69 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 1.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HD2' ' ND1' ' A' ' 106' ' ' HIS . 2.3 mmtt -153.25 103.95 2.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 1.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.7 m -78.38 134.19 37.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.0 110.394 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.2 t -145.41 126.9 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 1.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.34 134.26 47.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 1.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.643 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 19.7 t80 -115.28 123.73 31.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.514 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 33.5 Cg_endo -87.63 139.3 4.79 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.346 3.364 . . . . 1.0 109.619 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 25' ' ' HIS . 4.2 m80 -87.34 -33.77 19.07 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.102 0.876 . . . . 1.0 109.774 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.682 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -47.76 -54.79 20.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 1.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.682 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 37.8 Cg_exo -64.09 -5.54 9.6 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.29 3.327 . . . . 1.0 109.601 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.452 ' CD2' ' CBC' ' A' ' 233' ' ' HEM . 70.1 m80 -134.6 39.65 3.01 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 124.147 0.904 . . . . 1.0 109.805 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 18.7 tt0 -100.2 4.85 44.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 1.0 110.317 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -113.69 -21.11 10.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 1.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.7 t -84.55 124.92 40.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 1.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -46.49 133.62 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 1.0 110.275 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 31' ' ' VAL . 8.4 m -48.78 -61.91 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 1.0 108.288 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 30' ' ' CYS . 5.3 p -40.14 -51.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' VAL . 2.4 m -37.45 -35.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 1.0 110.42 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.597 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.8 OUTLIER -107.05 -52.33 2.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 1.0 108.318 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -84.78 72.78 10.7 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.008 -0.996 . . . . 1.0 109.764 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 3.2 p80 -48.87 160.23 0.2 Allowed 'General case' 0 CA--C 1.54 0.568 0 O-C-N 124.207 0.942 . . . . 1.0 109.77 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.67 152.33 22.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 1.0 109.308 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.4 t -120.65 112.65 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 1.0 109.328 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t0 55.46 41.4 30.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 1.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.3 39.69 65.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 1.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.77 105.95 6.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 1.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -46.77 124.41 6.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 1.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.584 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -141.37 165.5 27.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 1.0 110.015 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 42' ' ' SER . 54.4 m-85 -154.38 55.72 0.7 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.997 -1.001 . . . . 1.0 109.859 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.62 147.96 23.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 1.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -45.04 153.01 0.21 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 1.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -41.86 61.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 1.0 108.284 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.39 58.02 1.16 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 1.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.9 t -92.23 166.84 12.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 0.794 . . . . 1.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.402 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -56.91 135.62 55.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 1.0 110.034 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.01 39.14 89.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 1.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 49' ' ' SER . 20.8 m -135.86 -143.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.364 -0.976 . . . . 1.0 108.364 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -89.77 76.94 7.14 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.038 -0.983 . . . . 1.0 109.757 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -129.3 52.17 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 1.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -152.92 92.29 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 1.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.56 16.8 12.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 1.0 109.255 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 m -82.07 -15.49 53.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 1.0 110.433 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.41 169.02 8.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -109.29 -13.35 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 58' ' ' LYS . 10.1 mttp -162.87 135.79 5.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 1.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 145.69 157.64 7.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.444 1.09 . . . . 1.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -58.45 -18.46 28.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 1.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 1.3 mtpt -101.5 37.07 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -136.61 134.61 37.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 110.019 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.0 tp -96.44 35.91 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 1.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -128.27 -33.31 2.16 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.845 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -88.08 -1.48 58.03 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 118.874 -0.584 . . . . 1.0 109.794 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 m -120.64 4.97 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 1.0 109.291 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -104.03 -48.37 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 1.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.672 ' O ' ' C ' ' A' ' 70' ' ' ALA . 28.8 m80 -95.73 -78.62 0.45 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.987 -1.006 . . . . 1.0 109.77 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.672 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 14.66 90.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 109.307 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.481 ' CG ' ' O ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -96.54 26.56 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 1.0 110.282 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.02 -152.3 16.76 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.488 1.117 . . . . 1.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -88.99 104.95 17.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 0.752 . . . . 1.0 110.331 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.537 ' CD1' ' CB ' ' A' ' 70' ' ' ALA . 73.0 mt -114.81 176.54 5.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 1.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -50.44 73.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 1.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 7.4 m-70 -106.99 -140.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 1.0 109.599 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.8 m -126.07 104.56 8.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 1.0 110.394 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -66.08 167.01 10.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 1.0 110.041 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.403 ' C ' ' N ' ' A' ' 81' ' ' ALA . 13.2 m -61.51 -67.09 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 1.0 108.286 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -48.38 -22.45 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 1.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -65.51 -72.0 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 1.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 48.1 t -47.77 -57.44 5.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 1.0 108.323 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.467 ' O ' ' CG2' ' A' ' 87' ' ' VAL . 12.7 m170 -42.63 -37.21 1.63 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.021 -0.99 . . . . 1.0 109.724 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.415 ' OG ' ' NE ' ' A' ' 71' ' ' ARG . 8.6 t -64.28 -47.03 81.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 1.0 109.953 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -66.14 -42.09 89.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 1.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.3 t -55.7 -37.36 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 1.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 83' ' ' HIS . 57.3 t -55.53 -26.34 19.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 1.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.96 5.04 17.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.48 -46.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 1.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -129.46 75.72 79.61 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 1.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -83.39 25.0 0.71 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.298 3.332 . . . . 1.0 109.574 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.56 24.5 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 1.0 110.262 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.488 ' HB3' ' CB ' ' A' ' 96' ' ' ASP . 1.2 mp -130.18 -76.31 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 1.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt 64.62 -75.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 1.0 109.355 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 93' ' ' LEU . 21.3 mtpp -89.97 34.96 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 1.0 109.248 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.488 ' CB ' ' HB3' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -138.62 -45.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.346 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.485 ' HG ' ' CG ' ' A' ' 93' ' ' LEU . 5.7 mt -95.4 -17.31 21.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 1.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.3 p -136.42 37.74 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 1.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.31 128.6 9.62 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.508 1.13 . . . . 1.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 84.5 m -69.32 -27.94 65.81 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -146.66 172.18 13.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 1.0 109.252 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 mttt 42.29 43.18 2.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 1.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.3 p -123.32 -162.08 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 1.0 110.028 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -96.07 10.64 36.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 1.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -124.93 -53.11 1.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 108.277 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.402 ' ND1' ' HD2' ' A' ' 16' ' ' LYS . 92.9 m-70 -112.15 66.51 0.79 Allowed Pre-proline 0 CA--C 1.54 0.561 0 CA-C-N 115.03 -0.987 . . . . 1.0 109.78 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo . . . . . 0 N--CA 1.447 -1.223 0 C-N-CA 124.325 3.35 . . . . 1.0 109.552 179.935 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.643 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.417 ' CMD' ' CBD' ' A' ' 251' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.425 ' CMC' ' CBC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.539 ' CMC' ' CBC' ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.48 ' CB ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 122.094 0.949 . . . . 1.0 109.292 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.551 ' HG2' ' CD2' ' A' ' 43' ' ' TYR . 7.2 Cg_exo -75.22 154.29 41.36 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.33 3.353 . . . . 1.0 109.595 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.87 122.02 17.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 1.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.67 121.96 64.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 1.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -75.51 125.5 9.03 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.316 3.344 . . . . 1.0 109.59 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -86.46 9.05 19.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 1.0 109.314 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 pttp -116.16 88.49 22.64 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 1.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.4 ' CG ' ' HA ' ' A' ' 21' ' ' PRO . 13.1 Cg_exo -41.68 147.8 0.37 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.335 3.357 . . . . 1.0 109.558 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.42 148.82 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 109.284 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.83 144.76 27.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 1.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.2 t -122.06 86.07 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 1.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -87.24 89.41 7.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 1.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.81 -134.91 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 1.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.27 -68.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.794 . . . . 1.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -149.51 48.43 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 1.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.558 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 1.3 tptm -156.2 95.97 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 1.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.3 m -73.49 134.1 43.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 1.0 110.442 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.6 t -150.18 127.49 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 1.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -101.01 139.95 35.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 1.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.687 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 23.7 t80 -117.45 123.01 30.28 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 1.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.515 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 32.7 Cg_endo -88.17 139.57 4.44 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.318 3.345 . . . . 1.0 109.563 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 25' ' ' HIS . 4.3 m80 -87.82 -33.77 18.49 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 124.106 0.879 . . . . 1.0 109.756 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.684 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -47.86 -54.88 20.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 1.0 109.267 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.684 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 36.5 Cg_exo -63.79 -6.09 10.17 Favored 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 124.303 3.335 . . . . 1.0 109.574 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 22' ' ' HIS . 69.9 m80 -133.55 40.4 3.14 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 124.156 0.91 . . . . 1.0 109.817 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.7 9.01 41.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 1.0 110.346 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.62 -3.05 8.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 1.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.463 HG12 ' CBC' ' A' ' 282' ' ' HEM . 37.0 t -101.98 122.6 54.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 1.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.31 129.6 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 1.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.9 m -47.15 -60.58 2.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 1.0 108.244 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 33' ' ' CYS . 7.3 p -40.34 -52.04 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 1.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 31' ' ' VAL . 3.3 m -37.1 -32.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 1.0 110.424 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.598 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.8 OUTLIER -110.81 -52.47 2.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 1.0 108.29 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -85.15 73.47 10.62 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.786 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -49.56 160.61 0.26 Allowed 'General case' 0 CA--C 1.54 0.567 0 O-C-N 124.1 0.875 . . . . 1.0 109.723 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.02 148.75 26.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 1.0 109.232 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.7 t -116.36 112.81 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 1.0 109.332 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 52.5 40.67 30.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 1.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.61 38.54 82.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 1.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.05 103.04 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 1.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -44.27 122.87 3.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 1.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.4 t -142.4 159.22 42.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 1.0 110.004 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.551 ' CD2' ' HG2' ' A' ' 2' ' ' PRO . 77.8 m-85 -142.63 56.55 1.43 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.841 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.465 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -95.47 147.28 23.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 1.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.467 ' O ' ' CMC' ' A' ' 251' ' ' HEM . 0.3 OUTLIER -47.71 155.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 1.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.434 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . 1.1 m -50.48 -33.6 21.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 1.0 108.306 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.72 65.05 0.28 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.106 . . . . 1.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.465 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 26.7 t -99.23 168.46 10.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 1.0 110.039 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.6 m -46.36 116.72 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.0 109.964 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.65 58.05 10.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 1.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.407 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 18.1 m -149.58 -144.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.302 -0.999 . . . . 1.0 108.302 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -89.06 82.45 6.64 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.021 -0.99 . . . . 1.0 109.778 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -135.57 50.35 2.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 1.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -151.67 93.23 1.84 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 1.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mt -94.47 18.12 11.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 1.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.76 -7.68 23.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 1.0 110.446 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.546 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -86.33 -53.03 5.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 1.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.546 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 2.8 tppt? 90.63 -34.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 1.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.14 129.44 16.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 1.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 142.03 -178.88 20.41 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.459 1.099 . . . . 1.0 111.033 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -85.51 15.29 4.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 1.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 6.2 mmtt -129.84 36.13 4.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 1.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -134.89 141.25 46.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 110.047 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.434 ' CD1' ' HB3' ' A' ' 46' ' ' CYS . 44.0 tp -99.38 36.26 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 1.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -129.07 -33.5 1.97 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.981 -1.009 . . . . 1.0 109.882 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -87.29 -2.05 58.35 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 118.887 -0.578 . . . . 1.0 109.86 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.7 m -119.91 5.07 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 1.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 t -106.74 -41.63 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 1.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.683 ' O ' ' C ' ' A' ' 70' ' ' ALA . 37.3 m80 -100.27 -82.77 0.45 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.007 -0.997 . . . . 1.0 109.731 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.683 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 13.23 89.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 1.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.75 23.85 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 1.0 110.321 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -105.17 -170.7 24.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.11 . . . . 1.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -75.41 101.57 4.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 0.745 . . . . 1.0 110.286 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.474 HD11 ' CB ' ' A' ' 70' ' ' ALA . 82.0 mt -107.35 167.88 9.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 1.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -28.84 37.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 1.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -126.49 -143.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 1.0 109.623 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.8 m -125.84 104.89 8.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 1.0 110.42 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -69.68 167.0 17.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 1.0 110.012 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.403 ' C ' ' N ' ' A' ' 81' ' ' ALA . 11.3 m -61.94 -66.2 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 1.0 108.262 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -48.0 -23.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.465 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -63.86 -70.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 1.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 85' ' ' LYS . 51.4 t -50.8 -61.47 2.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 1.0 108.287 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.401 ' ND1' ' HB3' ' A' ' 97' ' ' LEU . 12.5 m170 -38.93 -29.13 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.972 -1.013 . . . . 1.0 109.768 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 3.2 t -59.09 -50.23 74.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 1.0 110.041 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 82' ' ' CYS . 1.3 mttt -67.99 -35.65 78.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 1.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 77.1 t -58.21 -48.44 84.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 1.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.527 ' CG2' ' CG2' ' A' ' 98' ' ' THR . 18.9 t -54.45 -31.23 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 1.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.42 12.52 10.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -123.85 -40.28 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 1.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.41 80.89 46.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 1.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -56.28 -11.77 6.7 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.323 3.349 . . . . 1.0 109.619 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -82.86 26.98 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 1.0 110.303 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.495 ' O ' ' C ' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -109.94 -71.27 0.77 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 1.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.495 ' C ' ' O ' ' A' ' 93' ' ' LEU . 10.1 tptp 33.27 89.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 94' ' ' LYS . 6.0 tttp 81.05 34.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.447 ' HB2' ' CB ' ' A' ' 93' ' ' LEU . 1.6 m-20 -118.11 -51.88 2.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 1.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.411 ' C ' ' CG2' ' A' ' 98' ' ' THR . 18.3 mt -109.92 2.97 20.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 1.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.527 ' CG2' ' CG2' ' A' ' 87' ' ' VAL . 7.0 p -147.83 39.1 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 1.0 110.364 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -105.54 130.03 10.04 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.482 1.114 . . . . 1.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.6 m -70.4 -30.96 67.98 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.342 -0.985 . . . . 1.0 108.342 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.26 171.26 14.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 1.0 109.254 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.0 mttt 40.65 46.93 2.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 1.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.73 -169.07 1.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 1.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.01 12.27 11.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 1.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.401 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.5 OUTLIER -128.26 -55.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 1.0 108.259 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.558 ' CE1' ' HG2' ' A' ' 16' ' ' LYS . 89.7 m-70 -110.25 76.47 1.06 Allowed Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.785 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.401 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 58.7 Cg_endo . . . . . 0 N--CA 1.447 -1.237 0 C-N-CA 124.334 3.356 . . . . 1.0 109.574 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.687 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.467 ' CMC' ' O ' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.463 ' CBC' HG12 ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.533 ' CMC' ' CBC' ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.516 ' CB ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 122.054 0.931 . . . . 1.0 109.353 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.516 ' CD ' ' CB ' ' A' ' 1' ' ' ALA . 25.8 Cg_exo -64.5 118.14 5.13 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.353 3.369 . . . . 1.0 109.599 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -40.67 123.19 1.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.074 . . . . 1.0 109.277 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.9 p -58.04 117.95 23.27 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -41.98 130.78 4.38 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.355 3.37 . . . . 1.0 109.589 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -72.63 -12.43 61.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 1.0 109.27 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.22 155.84 70.67 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 1.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -75.58 172.17 16.83 Favored 'Trans proline' 0 N--CA 1.446 -1.287 0 C-N-CA 124.295 3.33 . . . . 1.0 109.64 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 m -131.33 144.22 38.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 1.0 109.351 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.71 142.81 27.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 1.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.6 t -116.91 68.75 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.75 92.5 4.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 1.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.99 -130.39 0.66 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 1.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -59.23 -74.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 1.0 109.983 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.427 ' N ' ' OG ' ' A' ' 14' ' ' SER . 2.8 tt0 -145.57 45.96 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 1.0 110.282 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.484 ' HD3' ' C2A' ' A' ' 305' ' ' HEM . 1.4 mttt -149.62 97.16 2.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 1.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m -74.78 131.87 41.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 1.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.6 t -148.42 126.73 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 1.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 32.6 mtt -103.27 133.79 47.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 1.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.7 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 28.3 t80 -114.78 121.29 35.85 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.512 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 41.8 Cg_endo -86.61 138.24 5.23 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.322 3.348 . . . . 1.0 109.556 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' HIS . 5.4 m80 -88.4 -33.1 18.02 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 124.149 0.906 . . . . 1.0 109.736 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.678 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -47.53 -54.77 20.02 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 1.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.678 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 27.7 Cg_exo -64.37 -5.51 9.98 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.294 3.329 . . . . 1.0 109.596 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' ' 22' ' ' HIS . 70.2 m80 -131.99 37.94 3.56 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 124.105 0.878 . . . . 1.0 109.759 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 11.2 tt0 -99.19 6.01 46.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 1.0 110.284 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.82 -4.24 11.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 1.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.9 t -104.28 123.74 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 1.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.404 ' O ' ' HB ' ' A' ' 32' ' ' THR . 1.0 OUTLIER -43.37 142.87 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 1.0 110.28 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' CYS . 7.0 m -60.49 -66.01 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 1.0 108.279 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 33' ' ' CYS . 2.7 t -37.67 -57.78 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' VAL . 23.5 m -34.94 -34.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 1.0 110.39 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.526 ' HB2' ' CMC' ' A' ' 233' ' ' HEM . 0.5 OUTLIER -105.24 -45.97 4.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 108.331 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -92.63 69.83 4.85 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.954 -1.021 . . . . 1.0 109.804 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -42.05 159.48 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.572 0 O-C-N 124.111 0.882 . . . . 1.0 109.77 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.79 152.45 23.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 1.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 70.7 t -123.42 112.54 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 1.0 109.307 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 51.8 39.71 26.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.69 28.81 66.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.145 . . . . 1.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -129.67 93.8 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 1.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.78 123.26 3.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 1.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.8 t -135.41 157.47 46.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 1.0 110.04 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -139.58 55.05 1.67 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.822 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 45' ' ' LYS . . . -95.67 149.4 21.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' ALA . 16.6 mttt -40.49 147.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 1.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -27.9 6.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 1.0 108.262 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.99 66.6 0.32 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 1.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.0 t -99.82 166.62 11.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 0.732 . . . . 1.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.17 117.99 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 1.0 110.02 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.75 50.11 20.78 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.492 1.12 . . . . 1.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.451 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 20.4 m -147.59 -140.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.299 -1.0 . . . . 1.0 108.299 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 61' ' ' GLU . 19.1 m-70 -96.48 78.15 2.99 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.975 -1.011 . . . . 1.0 109.741 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -134.6 47.64 2.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 1.0 109.307 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.47 99.77 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 1.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 mp -97.5 19.25 13.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 1.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.6 -5.51 42.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.524 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -90.59 -47.52 7.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 1.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 91.17 -27.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 1.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -155.23 135.89 13.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 1.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.64 161.88 9.87 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 1.0 111.051 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.449 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 0.7 OUTLIER -61.59 -13.58 23.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 1.0 110.298 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -99.16 31.49 3.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 1.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 t -135.5 145.79 47.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 1.0 110.013 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.3 tp -109.3 42.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 1.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -133.5 -34.96 1.02 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.027 -0.988 . . . . 1.0 109.828 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -88.38 -1.28 57.95 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 118.872 -0.585 . . . . 1.0 109.819 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.7 m -119.01 2.05 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 1.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.1 t -100.29 -48.13 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.681 ' O ' ' C ' ' A' ' 70' ' ' ALA . 23.9 m80 -95.7 -78.77 0.45 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.939 -1.028 . . . . 1.0 109.777 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.681 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . 12.3 88.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 1.0 109.275 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.86 22.43 3.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 1.0 110.337 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.05 -164.0 24.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 1.0 110.979 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -79.74 105.91 11.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 1.0 110.269 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.473 HD13 ' CB ' ' A' ' 70' ' ' ALA . 82.7 mt -113.45 164.06 14.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 1.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -50.19 -34.87 24.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -120.74 -143.76 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 1.0 109.548 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.4 m -125.06 104.9 8.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 1.0 110.415 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -67.99 165.55 17.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 1.0 110.033 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.41 ' C ' ' N ' ' A' ' 81' ' ' ALA . 9.6 m -61.2 -66.88 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 1.0 108.312 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.67 -22.63 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 1.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -65.04 -70.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 1.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 85' ' ' LYS . 50.7 t -50.06 -60.79 2.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 1.0 108.299 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.435 ' ND1' ' HB3' ' A' ' 97' ' ' LEU . 13.0 m170 -39.13 -33.51 0.13 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.031 -0.986 . . . . 1.0 109.775 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 0.6 OUTLIER -56.47 -46.94 80.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 1.0 109.975 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 82' ' ' CYS . 0.1 OUTLIER -69.59 -40.18 76.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 1.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.534 ' CG1' ' CD1' ' A' ' 97' ' ' LEU . 84.2 t -55.03 -42.14 62.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 1.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 49.3 t -54.73 -27.74 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 1.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.78 12.75 10.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 1.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 86' ' ' VAL . 0.5 OUTLIER -118.29 -37.7 3.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 1.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.457 ' HB3' ' CD1' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -131.82 67.65 79.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 1.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 90' ' ' LYS . 51.2 Cg_exo -49.93 -18.47 3.02 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.342 3.361 . . . . 1.0 109.578 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -84.79 27.63 0.73 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 1.0 110.29 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.534 ' O ' ' C ' ' A' ' 94' ' ' LYS . 75.2 mt -132.7 -75.54 0.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 1.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.534 ' C ' ' O ' ' A' ' 93' ' ' LEU . 45.6 tttt 29.44 61.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 1.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' A' ' 98' ' ' THR . 0.5 OUTLIER 177.88 -58.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 1.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -54.21 -20.04 6.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 1.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.534 ' CD1' ' CG1' ' A' ' 86' ' ' VAL . 3.3 mt -111.49 -31.99 6.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 1.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 95' ' ' LYS . 31.2 p -113.82 -146.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 1.0 110.396 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.401 ' N ' ' HG1' ' A' ' 98' ' ' THR . . . 68.43 132.38 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.501 1.125 . . . . 1.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.505 ' SG ' ' CMB' ' A' ' 305' ' ' HEM . 65.9 m -77.37 -28.79 52.99 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.304 -0.999 . . . . 1.0 108.304 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.59 167.6 19.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 1.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 55.45 48.46 18.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 1.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.3 m -136.6 178.59 6.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 1.0 109.962 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.56 -3.54 59.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 1.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.3 m -101.95 -40.9 6.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 1.0 108.301 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.454 ' CE1' ' HE2' ' A' ' 16' ' ' LYS . 80.6 m-70 -131.68 74.53 77.71 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.021 -0.991 . . . . 1.0 109.781 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo . . . . . 0 N--CA 1.447 -1.211 0 C-N-CA 124.339 3.359 . . . . 1.0 109.592 179.869 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.7 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.451 ' C2C' ' HB3' ' A' ' 51' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.411 ' CMC' ' CBC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.53 ' CMC' ' CBC' ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.6 p -58.06 123.71 66.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 1.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -71.59 124.92 10.7 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.255 3.303 . . . . 1.0 109.615 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -77.15 -1.26 28.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 1.0 109.31 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.89 148.05 36.64 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -79.02 142.84 17.56 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.371 3.38 . . . . 1.0 109.563 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -108.11 133.47 52.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 1.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -71.78 139.08 48.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 1.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 13' ' ' GLY . 25.2 t -119.15 69.67 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 1.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -53.09 89.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 1.0 109.361 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 11' ' ' VAL . . . -66.06 -124.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.458 1.099 . . . . 1.0 110.95 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.08 -63.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 0.777 . . . . 1.0 109.994 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -127.91 -58.98 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 1.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.55 146.47 54.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 1.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.3 m -102.5 134.29 46.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 1.0 110.394 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.1 128.98 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 1.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.7 ptt? -110.09 131.54 54.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 1.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.456 ' CE1' ' ND1' ' A' ' 25' ' ' HIS . 19.5 t80 -107.95 125.44 32.1 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 1.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.756 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 31.9 Cg_endo -88.85 139.38 3.81 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.276 3.317 . . . . 1.0 109.593 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -87.65 -33.45 18.8 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.118 0.886 . . . . 1.0 109.752 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.916 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.89 -54.92 20.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.916 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 26.5 Cg_exo -65.15 -5.19 10.52 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.35 3.367 . . . . 1.0 109.594 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.456 ' ND1' ' CE1' ' A' ' 20' ' ' PHE . 69.3 m80 -134.21 40.97 3.0 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.145 0.903 . . . . 1.0 109.749 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.78 9.75 38.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 1.0 110.293 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.08 -4.13 9.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 1.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.1 t -103.2 124.48 57.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 1.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.416 ' OE1' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -46.18 136.01 7.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 1.0 110.314 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' CYS . 5.2 m -51.21 -59.74 3.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 1.0 108.337 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.416 HG12 ' OE1' ' A' ' 29' ' ' GLU . 3.6 p -38.66 -49.6 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' VAL . 3.3 m -37.77 -42.68 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 1.0 110.366 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' CYS . 1.3 m -101.78 -54.56 2.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 1.0 108.275 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.2 m-70 -82.52 69.93 9.38 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.758 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -47.5 160.8 0.1 Allowed 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.166 0.916 . . . . 1.0 109.78 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.65 155.56 24.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 1.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.9 t -124.33 112.47 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 1.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 t0 54.15 40.18 31.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 1.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.16 32.54 63.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 1.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -130.98 102.82 6.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.773 . . . . 1.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -43.86 128.74 5.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 1.0 110.311 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.473 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 41.3 t -148.48 156.61 42.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 1.0 110.007 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 42' ' ' SER . 25.9 m-85 -143.43 54.47 1.34 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.038 -0.983 . . . . 1.0 109.843 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.567 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -92.11 147.14 23.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 1.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.26 147.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 1.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.74 -33.62 4.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 1.0 108.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.07 63.09 0.29 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 1.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.567 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 27.0 t -97.94 167.65 10.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 1.0 109.975 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.0 t -42.26 126.67 3.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 1.0 110.016 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 55.45 52.53 47.2 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 1.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.9 m -141.91 -144.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.281 -1.007 . . . . 1.0 108.281 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -97.23 81.81 3.08 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.966 -1.015 . . . . 1.0 109.746 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -134.54 51.27 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 1.0 109.263 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.81 100.55 1.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 1.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.34 21.39 12.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 1.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.422 ' O ' ' CG2' ' A' ' 56' ' ' THR . 0.9 OUTLIER -101.44 -1.92 32.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 110.364 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -91.91 -49.1 6.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 1.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 90.05 -38.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 1.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.45 121.74 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 1.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 147.72 156.72 7.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.529 1.143 . . . . 1.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.36 -17.5 12.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 1.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.64 33.02 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 1.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -130.84 140.2 50.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 1.0 110.001 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.4 tp -103.63 39.76 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 1.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -131.39 -34.15 1.42 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.959 -1.018 . . . . 1.0 109.816 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -86.91 -3.88 59.12 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 118.937 -0.554 . . . . 1.0 109.841 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.1 m -117.5 2.86 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 1.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 t -102.09 -46.69 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 1.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.687 ' O ' ' C ' ' A' ' 70' ' ' ALA . 38.0 m80 -95.55 -80.08 0.43 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.719 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 1.022 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 11.74 91.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.421 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -92.15 20.52 5.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 1.0 110.351 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.0 -163.65 29.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.444 1.09 . . . . 1.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -84.13 98.33 9.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.753 . . . . 1.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.022 HD11 ' CB ' ' A' ' 70' ' ' ALA . 52.3 mt -105.36 172.85 6.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 1.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.49 -51.01 58.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -106.76 -139.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 1.0 109.601 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.0 m -127.0 104.27 7.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 1.0 110.371 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.855 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -65.72 166.44 10.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 1.0 110.018 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 81' ' ' ALA . 11.5 m -61.59 -66.47 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.0 108.312 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.3 mm? -48.67 -21.72 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 1.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.796 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -65.82 -70.38 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 1.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 85' ' ' LYS . 53.9 t -49.72 -61.3 2.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 1.0 108.282 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.414 ' ND1' ' HB3' ' A' ' 97' ' ' LEU . 13.1 m170 -39.1 -30.46 0.05 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.759 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 3.3 t -60.53 -49.01 79.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 1.0 109.994 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.629 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -67.55 -35.82 79.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 1.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 69.9 t -57.72 -48.2 84.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 1.0 109.333 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.93 -19.71 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 1.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 1.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.461 ' C ' HD23 ' A' ' 97' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.313 -0.625 . . . . 1.0 109.313 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.461 HD23 ' C ' ' A' ' 96' ' ' ASP . 13.0 mt -110.92 -25.6 9.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.183 . . . . 1.0 109.248 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 p -128.55 57.41 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 1.0 110.396 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -123.03 128.71 7.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.552 1.158 . . . . 1.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 106' ' ' HIS . 80.2 m -70.29 -29.86 66.71 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.316 -0.994 . . . . 1.0 108.316 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.72 172.7 12.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 1.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.02 49.0 9.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 1.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.58 -171.69 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.0 110.039 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -87.26 1.57 52.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 1.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.406 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -114.06 -50.6 2.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 1.0 108.284 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.402 ' CB ' ' O ' ' A' ' 100' ' ' CYS . 89.7 m-70 -118.71 83.33 22.02 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-N 114.981 -1.009 . . . . 1.0 109.752 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 29.0 Cg_exo . . . . . 0 N--CA 1.447 -1.226 0 C-N-CA 124.292 3.328 . . . . 1.0 109.619 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.13 123.05 84.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 1.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -72.07 129.81 15.69 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.313 3.342 . . . . 1.0 109.623 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -84.44 7.57 19.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 1.0 109.284 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.34 148.77 41.55 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 1.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -78.4 135.43 13.32 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.32 3.347 . . . . 1.0 109.65 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.3 m -107.72 131.52 57.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 1.0 109.257 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -71.46 143.2 50.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 1.0 110.335 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.4 t -121.18 68.31 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 1.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -40.41 129.4 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 1.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -118.89 -154.66 9.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 1.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.543 ' HA ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -55.71 -71.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.78 . . . . 1.0 109.984 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.408 ' N ' ' OG ' ' A' ' 14' ' ' SER . 5.9 tt0 -141.93 43.4 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 1.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.88 127.08 2.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 1.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.7 m -89.91 130.8 36.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 1.0 110.407 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.6 t -133.34 126.43 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 1.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -105.64 133.67 50.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 1.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.42 ' CE1' ' ND1' ' A' ' 25' ' ' HIS . 19.1 t80 -111.03 124.88 31.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 1.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.736 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 33.5 Cg_endo -87.61 138.48 4.51 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.301 3.334 . . . . 1.0 109.6 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -87.5 -33.43 18.99 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 124.129 0.893 . . . . 1.0 109.726 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.913 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.81 -54.95 19.55 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 1.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.913 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 26.5 Cg_exo -65.12 -5.46 11.04 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.27 3.313 . . . . 1.0 109.647 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.42 ' ND1' ' CE1' ' A' ' 20' ' ' PHE . 70.7 m80 -134.0 39.29 3.14 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 124.183 0.927 . . . . 1.0 109.783 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.75 6.36 45.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.0 110.297 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.41 -20.56 10.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 1.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.454 HG12 ' HB ' ' A' ' 32' ' ' THR . 21.6 t -86.32 128.06 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.03 137.05 17.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 1.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.7 m -49.45 -61.43 2.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 1.0 108.336 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' CYS . 3.5 p -40.71 -50.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 1.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.454 ' HB ' HG12 ' A' ' 28' ' ' VAL . 2.5 m -38.05 -30.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 1.0 110.427 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -112.88 -53.53 2.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 108.321 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -83.53 74.13 10.14 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.958 -1.019 . . . . 1.0 109.767 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -50.63 161.28 0.35 Allowed 'General case' 0 CA--C 1.54 0.585 0 O-C-N 124.139 0.899 . . . . 1.0 109.753 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.637 ' N ' HD23 ' A' ' 36' ' ' LEU . 2.0 mt -84.78 156.33 21.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 1.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.6 t -123.77 112.93 34.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.584 1.178 . . . . 1.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t0 55.51 41.33 30.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 1.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.0 37.89 59.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.109 . . . . 1.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.76 124.64 24.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 1.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.35 127.68 7.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.605 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 45.6 t -139.89 150.96 45.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 42' ' ' SER . 60.0 m-85 -157.12 48.17 0.43 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.017 -0.992 . . . . 1.0 109.809 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.476 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -98.14 148.08 23.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 1.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -41.88 152.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 1.0 109.295 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -50.13 -38.26 38.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 1.0 108.332 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.64 61.29 0.36 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.488 1.118 . . . . 1.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.476 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 28.0 t -95.91 168.38 10.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 0.801 . . . . 1.0 110.01 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.1 m -52.08 132.47 32.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 1.0 110.024 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.68 43.28 94.49 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.111 . . . . 1.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 13.3 m -139.99 -145.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.3 -1.0 . . . . 1.0 108.3 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -90.92 72.27 6.5 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.749 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -122.04 46.13 2.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 1.0 109.266 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.17 94.65 2.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 1.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.543 HD13 ' HA ' ' A' ' 14' ' ' SER . 0.6 OUTLIER -94.35 18.39 11.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.08 -11.83 57.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 1.0 110.413 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.04 174.15 5.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 1.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.467 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -113.91 -11.7 12.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 1.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -172.6 135.94 0.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 1.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 154.27 158.31 8.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.133 . . . . 1.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.71 -14.7 15.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 1.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -112.15 43.11 1.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 1.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 t -135.29 141.62 45.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 1.0 110.017 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 39.0 tp -102.33 38.21 1.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 1.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.467 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 5.7 t80 -131.02 -36.49 1.33 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.036 -0.984 . . . . 1.0 109.818 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -87.76 -1.94 58.29 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 118.934 -0.555 . . . . 1.0 109.864 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.3 m -118.59 3.39 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 1.0 109.34 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -102.3 -46.47 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 1.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.672 ' O ' ' C ' ' A' ' 70' ' ' ALA . 23.3 m80 -97.69 -80.43 0.45 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.745 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 1.091 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 15.01 90.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.89 20.7 7.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 1.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.7 -153.74 28.52 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.556 1.16 . . . . 1.0 111.007 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.68 99.34 12.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 1.0 110.263 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.091 HD11 ' CB ' ' A' ' 70' ' ' ALA . 44.1 mt -107.57 176.48 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -46.35 77.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 1.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -114.83 -152.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 109.608 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.5 m -112.25 102.87 11.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 1.0 110.366 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.814 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -64.97 167.53 7.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 1.0 109.963 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 18.8 m -60.76 -67.44 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 1.0 108.281 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -49.02 -22.32 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 1.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.804 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.26 -70.34 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 1.0 109.309 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.422 ' O ' ' N ' ' A' ' 85' ' ' LYS . 49.6 t -50.13 -59.58 3.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 1.0 108.302 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.464 ' O ' HG23 ' A' ' 87' ' ' VAL . 12.2 m170 -40.44 -28.22 0.06 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.99 -1.004 . . . . 1.0 109.762 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 4.4 t -60.18 -46.32 90.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 1.0 109.988 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 82' ' ' CYS . 0.1 OUTLIER -71.36 -38.59 71.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 1.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.722 HG11 ' CD1' ' A' ' 97' ' ' LEU . 71.5 t -54.54 -37.36 38.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 1.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 83' ' ' HIS . 24.0 t -54.9 -29.23 21.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 1.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 1.0 109.325 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.57 ' C ' HD23 ' A' ' 97' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.722 ' CD1' HG11 ' A' ' 86' ' ' VAL . 6.2 mt -107.96 -28.8 9.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.3 p -126.03 57.18 1.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 1.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -115.75 126.93 7.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 1.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 82.3 m -72.55 -31.39 65.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.275 -1.009 . . . . 1.0 108.275 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.92 172.16 13.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 1.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 106' ' ' HIS . 0.1 OUTLIER 41.87 46.52 3.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 1.0 109.332 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.7 t -128.12 -167.56 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.83 0.6 55.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 1.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.408 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 0.9 OUTLIER -116.14 -50.07 2.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 1.0 108.312 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 102' ' ' LYS . 89.6 m-70 -118.07 83.22 19.01 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-N 114.943 -1.026 . . . . 1.0 109.76 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 39.1 Cg_exo . . . . . 0 N--CA 1.446 -1.28 0 C-N-CA 124.355 3.37 . . . . 1.0 109.61 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.279 -0.637 . . . . 1.0 109.279 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.94 122.12 81.06 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 1.0 109.274 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -76.44 124.02 7.45 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.305 3.337 . . . . 1.0 109.576 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.403 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.3 p30 -86.21 10.16 15.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.321 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.86 91.33 25.76 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 1.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.663 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 12.1 Cg_exo -40.64 140.05 1.12 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.29 3.327 . . . . 1.0 109.631 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.08 148.56 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 1.0 109.257 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -78.78 144.89 34.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 1.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.4 t -116.72 66.49 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 1.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp -39.79 133.73 1.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 1.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -125.3 -152.65 8.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 1.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.522 ' N ' ' CD2' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -61.0 -69.28 0.24 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 0.774 . . . . 1.0 110.029 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.449 ' N ' ' OG ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -147.31 47.45 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 1.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -167.63 99.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 1.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.6 m -70.9 133.62 46.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 1.0 110.411 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.6 t -137.86 127.09 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 1.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.0 ptp -102.51 140.03 37.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 1.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -115.46 124.45 30.04 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 1.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.746 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 30.8 Cg_endo -88.48 138.19 3.77 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.317 3.345 . . . . 1.0 109.571 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -87.17 -33.17 19.47 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.152 0.907 . . . . 1.0 109.727 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.915 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -48.22 -54.98 20.6 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 1.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.915 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 29.1 Cg_exo -64.6 -5.97 11.26 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.329 3.353 . . . . 1.0 109.584 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -134.17 39.7 3.08 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.151 0.907 . . . . 1.0 109.759 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.14 5.27 46.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 110.306 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -114.51 -20.22 10.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 1.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.4 t -86.1 123.4 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.07 138.72 4.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.091 . . . . 1.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 31' ' ' VAL . 5.3 m -53.02 -62.64 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 1.0 108.328 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.465 HG13 ' H ' ' A' ' 32' ' ' THR . 2.6 p -37.06 -55.26 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.465 ' H ' HG13 ' A' ' 31' ' ' VAL . 8.0 m -34.52 -39.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 1.0 110.426 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.64 -53.25 2.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 1.0 108.27 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.1 m-70 -84.33 71.11 10.69 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.03 -0.987 . . . . 1.0 109.763 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.495 ' CG ' ' CE1' ' A' ' 76' ' ' HIS . 2.8 p-80 -46.82 160.53 0.08 Allowed 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.169 0.918 . . . . 1.0 109.794 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.08 152.28 24.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 1.0 109.301 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.5 t -120.86 112.04 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 1.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.12 39.09 25.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 1.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 60.23 30.45 70.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.142 . . . . 1.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -128.71 100.22 5.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.75 . . . . 1.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -44.21 126.1 4.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 1.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.3 t -140.05 157.35 45.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 1.0 109.967 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -142.25 56.31 1.46 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.992 -1.004 . . . . 1.0 109.827 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.649 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -98.82 142.22 30.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 1.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.77 152.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 1.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.36 -30.65 8.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 1.0 108.315 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -110.56 63.87 0.27 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.117 . . . . 1.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.649 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 25.2 t -102.54 168.65 9.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 1.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 84.8 p -52.18 131.67 32.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 1.0 109.974 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 55.18 52.13 49.34 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 1.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.0 m -146.97 -143.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -91.87 79.42 5.3 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.961 -1.018 . . . . 1.0 109.774 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -132.3 51.47 2.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 1.0 109.29 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.57 94.61 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' A' ' 14' ' ' SER . 4.6 tp -91.82 15.72 12.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.8 m -71.83 -19.08 62.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 1.0 110.419 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.8 162.94 13.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.556 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 14.8 mttt -103.09 -3.92 25.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 1.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -172.95 131.33 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 1.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.42 158.15 8.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.125 . . . . 1.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.81 -30.03 60.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 0.777 . . . . 1.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.56 32.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 1.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -131.0 136.08 48.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 1.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.458 ' HB3' HD13 ' A' ' 55' ' ' LEU . 45.1 tp -97.78 36.74 1.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 1.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.556 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 3.5 t80 -129.19 -33.62 1.93 Allowed 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.832 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -87.25 -3.13 59.03 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 118.895 -0.574 . . . . 1.0 109.846 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.5 m -118.69 4.86 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 1.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 t -105.28 -44.39 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 1.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.674 ' O ' ' C ' ' A' ' 70' ' ' ALA . 36.5 m80 -98.23 -81.71 0.43 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.021 -0.99 . . . . 1.0 109.765 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 1.077 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 14.77 89.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 1.0 109.306 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.423 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -91.55 20.66 5.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 1.0 110.317 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.57 -160.31 27.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 1.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -86.41 101.12 12.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 1.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.077 HD11 ' CB ' ' A' ' 70' ' ' ALA . 50.6 mt -108.72 175.91 5.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 1.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -55.03 -50.84 68.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 1.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.495 ' CE1' ' CG ' ' A' ' 35' ' ' HIS . 3.3 m80 -106.98 -140.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 109.576 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.3 m -125.67 104.52 8.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 1.0 110.357 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.841 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -66.69 166.68 12.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 1.0 109.992 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.406 ' C ' ' N ' ' A' ' 81' ' ' ALA . 10.3 m -61.71 -66.27 0.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 1.0 108.337 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -48.82 -22.44 0.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 1.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.788 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.8 -70.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 1.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 85' ' ' LYS . 52.8 t -50.27 -62.17 1.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 1.0 108.313 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -38.23 -29.21 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.742 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 4.6 p -59.81 -50.17 74.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 1.0 109.975 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.524 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 6.8 tptt -66.91 -34.64 78.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 1.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.675 HG11 HD12 ' A' ' 97' ' ' LEU . 88.1 t -60.36 -50.0 82.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 1.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.704 HG21 ' CG2' ' A' ' 98' ' ' THR . 14.3 t -54.83 -19.58 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 1.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 1.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.469 ' C ' HD23 ' A' ' 97' ' ' LEU . 4.5 t0 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.303 -0.629 . . . . 1.0 109.303 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.675 HD12 HG11 ' A' ' 86' ' ' VAL . 6.0 mt -101.74 -16.34 16.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 1.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.704 ' CG2' HG21 ' A' ' 87' ' ' VAL . 1.4 p -138.7 41.58 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 1.0 110.405 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.62 127.57 9.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.556 1.16 . . . . 1.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 72.6 m -69.03 -28.16 66.32 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.312 -0.996 . . . . 1.0 108.312 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -149.05 172.98 13.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 1.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 42.86 43.02 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 1.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.7 p -123.71 -153.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 1.0 110.062 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -108.31 16.39 23.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 1.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.5 OUTLIER -128.59 -52.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 1.0 108.336 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -114.28 63.36 1.26 Allowed Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 115.032 -0.985 . . . . 1.0 109.747 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.413 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 28.4 Cg_endo . . . . . 0 N--CA 1.447 -1.241 0 C-N-CA 124.32 3.347 . . . . 1.0 109.605 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 4' ' ' VAL . 7.1 p -44.31 110.51 1.02 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 1.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -50.54 130.93 31.31 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.295 3.33 . . . . 1.0 109.606 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -90.74 9.26 30.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 1.0 109.292 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.46 92.48 43.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 1.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.578 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 11.4 Cg_exo -40.42 154.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.3 3.334 . . . . 1.0 109.613 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.86 148.76 20.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 1.0 109.317 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -81.79 147.57 29.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 1.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 13' ' ' GLY . 26.0 t -121.33 72.52 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 1.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -57.84 88.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 1.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 11' ' ' VAL . . . -62.0 -149.6 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 1.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -57.82 10.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 1.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -146.61 46.51 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.45 129.4 2.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 1.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 95.5 m -92.96 118.67 31.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 1.0 110.435 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 11' ' ' VAL . 36.0 t -128.55 126.0 64.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 1.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.54 135.13 45.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 1.0 110.995 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.464 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 25.8 t80 -112.27 123.32 34.5 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.705 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 39.7 Cg_endo -87.25 137.11 4.24 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.289 3.326 . . . . 1.0 109.583 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -87.39 -32.87 19.34 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.146 0.904 . . . . 1.0 109.788 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.926 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.73 -55.03 18.8 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 1.0 109.338 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.926 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 25.8 Cg_exo -64.99 -5.59 11.1 Favored 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.318 3.345 . . . . 1.0 109.569 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.464 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 68.4 m80 -132.39 38.56 3.45 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 124.147 0.905 . . . . 1.0 109.775 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.86 8.7 41.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 1.0 110.258 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -121.43 -2.98 9.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 1.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.0 t -103.6 122.65 56.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 1.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' A' ' 32' ' ' THR . 2.6 mt-10 -43.19 129.02 4.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 1.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 34' ' ' HIS . 7.8 m -46.81 -57.42 4.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 108.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 32' ' ' THR . 3.7 p -42.14 -48.46 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.432 ' CB ' ' O ' ' A' ' 29' ' ' GLU . 1.6 m -37.86 -40.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 1.0 110.407 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -103.21 -54.79 2.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 1.0 108.299 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 30' ' ' CYS . 99.0 m-70 -82.53 72.47 9.6 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.992 -1.003 . . . . 1.0 109.777 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -47.82 159.9 0.15 Allowed 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.098 0.874 . . . . 1.0 109.752 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.36 146.92 27.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 1.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.4 t -117.74 112.45 38.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 1.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t0 54.06 40.77 31.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 1.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.67 38.7 73.16 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.136 . . . . 1.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -136.0 101.05 4.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 1.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -43.56 124.52 3.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 1.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.0 t -139.51 157.56 45.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 1.0 110.027 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -145.67 56.08 1.2 Allowed 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.053 -0.976 . . . . 1.0 109.869 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.424 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -95.2 142.82 27.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -43.39 146.19 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 1.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.81 -32.7 3.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 1.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.65 61.57 0.35 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 1.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.424 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 27.6 t -100.39 167.67 10.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 1.0 110.016 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.6 m -57.9 137.38 56.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 1.0 110.014 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 55.68 46.03 83.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 1.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.5 m -145.35 -143.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.341 -0.985 . . . . 1.0 108.341 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -90.47 81.65 5.95 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.738 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -136.07 47.58 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 1.0 109.34 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -152.92 95.04 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.1 mt -94.79 17.98 12.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 1.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.71 -7.16 25.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 1.0 110.404 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.541 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -85.81 -52.97 5.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 1.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 3.7 tmtm? 90.6 -37.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 1.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.2 129.4 19.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 1.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 142.3 178.53 18.41 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.532 1.145 . . . . 1.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.07 15.94 4.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.78 . . . . 1.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -128.8 35.49 4.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 1.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -133.57 148.56 51.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 1.0 110.007 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.2 tp -107.05 40.45 1.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 1.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -132.39 -35.44 1.16 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.819 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -86.85 -1.62 57.94 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.923 -0.561 . . . . 1.0 109.831 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.4 m -119.39 3.18 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 1.0 109.343 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -103.68 -44.76 9.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 1.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.678 ' O ' ' C ' ' A' ' 70' ' ' ALA . 33.8 m80 -97.47 -81.42 0.43 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.045 -0.979 . . . . 1.0 109.76 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 1.064 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 13.97 91.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 1.0 109.264 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.41 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -93.81 21.86 6.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 1.0 110.284 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -101.93 -160.96 26.6 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.129 . . . . 1.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.41 100.43 11.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 1.0 110.278 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.064 HD11 ' CB ' ' A' ' 70' ' ' ALA . 63.8 mt -108.17 175.7 5.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 1.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -51.2 69.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -105.95 -139.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 1.0 109.578 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.3 m -126.71 105.49 8.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 1.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.854 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.55 166.56 14.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 1.0 109.976 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.41 ' C ' ' N ' ' A' ' 81' ' ' ALA . 8.7 m -61.48 -66.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 1.0 108.276 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -48.8 -21.89 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 1.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.777 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -66.68 -72.13 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 53.8 t -47.83 -63.15 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 108.315 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.434 ' ND1' ' HB3' ' A' ' 97' ' ' LEU . 15.6 m170 -36.77 -45.24 0.53 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.998 -1.001 . . . . 1.0 109.752 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 t -43.12 -42.5 4.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 1.0 109.965 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.2 ttmt -74.57 -45.34 46.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 1.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.648 HG11 ' CD1' ' A' ' 97' ' ' LEU . 94.1 t -52.69 -40.33 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 1.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 57.1 t -54.15 -23.18 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 1.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.708 ' C ' HD23 ' A' ' 97' ' ' LEU . 4.0 t70 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.311 -0.625 . . . . 1.0 109.311 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.708 HD23 ' C ' ' A' ' 96' ' ' ASP . 6.1 mt -111.54 -21.89 11.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 1.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.5 p -118.38 -139.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 110.385 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.86 131.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.142 . . . . 1.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 84.1 m -75.21 -30.5 60.62 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.314 -0.995 . . . . 1.0 108.314 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.74 164.36 25.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 1.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 52.75 59.63 4.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 1.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.0 p -142.61 -175.51 4.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 1.0 109.985 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -89.96 4.35 50.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 1.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -113.34 -49.25 2.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 1.0 108.282 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -121.09 83.12 37.87 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 114.951 -1.022 . . . . 1.0 109.755 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo . . . . . 0 N--CA 1.448 -1.188 0 C-N-CA 124.274 3.316 . . . . 1.0 109.561 179.884 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.4 123.7 85.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 1.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -71.48 120.67 7.1 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.311 3.341 . . . . 1.0 109.589 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -83.53 6.57 19.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 1.0 109.32 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -105.38 152.34 39.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 1.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -76.39 138.79 20.16 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.319 3.346 . . . . 1.0 109.611 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.6 m -124.22 129.52 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 1.0 109.257 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.86 144.53 31.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.2 t -117.92 67.04 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 1.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.37 102.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 1.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.48 -150.34 9.98 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 1.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -67.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 1.0 109.98 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.33 44.51 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 1.0 110.272 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -160.48 135.6 7.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.6 m -97.61 128.88 44.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 1.0 110.385 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.0 t -135.46 126.65 45.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 1.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -98.73 135.84 39.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 1.0 110.961 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -119.54 116.45 33.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 1.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.761 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 79.6 Cg_endo -85.32 138.92 6.73 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.296 3.331 . . . . 1.0 109.6 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -87.65 -30.76 20.18 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.18 0.925 . . . . 1.0 109.815 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.906 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.82 -54.29 24.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 1.0 109.255 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.906 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 37.9 Cg_exo -64.37 -5.64 10.23 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.332 3.355 . . . . 1.0 109.572 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 63.6 m80 -133.2 38.66 3.31 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 124.109 0.881 . . . . 1.0 109.811 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 6.8 tt0 -97.51 5.11 50.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 1.0 110.317 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.6 -5.19 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.6 t -101.52 118.38 48.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 1.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.427 ' O ' ' HB ' ' A' ' 32' ' ' THR . 5.5 mp0 -42.77 144.96 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 1.0 110.338 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 34' ' ' HIS . 4.4 m -59.35 -64.67 0.86 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 1.0 108.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.542 HG13 ' H ' ' A' ' 32' ' ' THR . 3.1 p -38.7 -57.61 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 1.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.542 ' H ' HG13 ' A' ' 31' ' ' VAL . 16.6 m -35.77 -32.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 1.0 110.428 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -107.42 -57.09 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 1.0 108.303 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 30' ' ' CYS . 96.6 m-70 -81.74 72.21 8.78 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.99 -1.005 . . . . 1.0 109.722 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.512 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 1.7 p80 -42.07 160.55 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 O-C-N 124.112 0.882 . . . . 1.0 109.704 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.33 151.68 22.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 1.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 79.5 t -115.81 113.5 43.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 1.0 109.346 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 55.54 41.46 30.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 1.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.5 31.39 77.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.107 . . . . 1.0 110.982 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.66 129.61 35.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.763 . . . . 1.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.75 147.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 1.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.412 ' O ' ' CG ' ' A' ' 43' ' ' TYR . 4.1 t -142.91 141.63 31.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 1.0 110.016 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.412 ' CG ' ' O ' ' A' ' 42' ' ' SER . 97.2 m-85 -157.93 43.9 0.31 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.992 -1.004 . . . . 1.0 109.863 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' LYS . . . -105.52 149.31 26.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -40.06 144.93 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 1.0 109.265 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.484 ' SG ' HD11 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -49.25 -24.94 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 1.0 108.282 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -117.96 66.69 0.35 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.561 1.163 . . . . 1.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.2 t -100.85 167.46 10.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 0.754 . . . . 1.0 110.03 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.31 131.21 37.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 1.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.44 38.82 96.93 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 1.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.2 m -136.51 -145.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -89.31 82.1 6.56 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.001 -1.0 . . . . 1.0 109.734 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -133.1 54.77 1.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 1.0 109.254 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.13 96.49 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 1.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.461 ' N ' HD12 ' A' ' 55' ' ' LEU . 6.3 mp -97.42 19.95 12.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -97.43 -7.05 32.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 1.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.54 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -86.47 -50.47 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 1.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 2.2 tppt? 90.34 -21.02 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 1.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -161.96 134.39 5.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 1.0 109.338 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 140.26 175.77 14.67 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 1.0 111.012 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.31 10.87 6.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 1.0 110.262 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.71 33.66 5.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 1.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -132.91 151.55 52.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 1.0 110.028 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.484 HD11 ' SG ' ' A' ' 46' ' ' CYS . 43.9 tp -110.03 42.39 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -134.36 -36.2 0.89 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.816 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.435 ' O ' ' CD2' ' A' ' 66' ' ' TYR . 84.0 t80 -87.01 4.18 42.94 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 118.918 -0.563 . . . . 1.0 109.84 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.4 m -124.47 1.2 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 1.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -103.32 -46.53 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 1.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.682 ' O ' ' C ' ' A' ' 70' ' ' ALA . 38.0 m80 -94.16 -80.81 0.39 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.96 -1.018 . . . . 1.0 109.775 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 1.069 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 12.15 92.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.412 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -94.84 21.27 7.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 1.0 110.269 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.12 -157.75 25.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.113 . . . . 1.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -83.87 105.12 14.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 1.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.069 HD11 ' CB ' ' A' ' 70' ' ' ALA . 79.6 mt -113.47 -178.91 3.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 1.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -50.38 71.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 1.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.512 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 50.2 m-70 -108.8 -139.71 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.0 109.588 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.2 m -124.16 104.68 8.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 1.0 110.38 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.855 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.35 165.96 15.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 1.0 109.96 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.417 ' C ' ' N ' ' A' ' 81' ' ' ALA . 9.2 m -61.47 -66.86 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 1.0 108.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -48.42 -22.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 1.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.797 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -65.16 -69.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 1.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 85' ' ' LYS . 47.7 t -51.73 -61.84 2.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 1.0 108.292 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -37.75 -29.69 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.74 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' CYS . 5.6 t -59.3 -49.05 79.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 1.0 110.056 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.547 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -68.21 -37.05 80.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.479 HG11 HD12 ' A' ' 97' ' ' LEU . 80.7 t -57.0 -48.07 82.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 1.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.786 HG21 HG21 ' A' ' 98' ' ' THR . 24.2 t -55.58 -20.46 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 1.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.497 ' OD2' ' CG ' ' A' ' 104' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.311 -0.625 . . . . 1.0 109.311 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.479 HD12 HG11 ' A' ' 86' ' ' VAL . 7.8 mt -101.68 -15.06 17.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.786 HG21 HG21 ' A' ' 87' ' ' VAL . 1.2 p -136.58 38.46 2.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 1.0 110.41 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.64 130.92 10.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 1.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 76.8 m -70.06 -29.91 67.03 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.81 170.9 15.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 1.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 47.27 39.34 8.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 1.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 94.5 p -121.64 -168.31 1.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 1.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.497 ' CG ' ' OD2' ' A' ' 96' ' ' ASP . 0.1 OUTLIER -92.52 7.15 44.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 1.0 109.329 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -118.07 -54.12 2.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 1.0 108.336 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -113.44 65.04 1.08 Allowed Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.779 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.415 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 42.6 Cg_endo . . . . . 0 N--CA 1.448 -1.188 0 C-N-CA 124.267 3.311 . . . . 1.0 109.577 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.255 -0.646 . . . . 1.0 109.255 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.0 p -53.36 125.51 43.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 1.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.548 ' HG2' ' ND1' ' A' ' 22' ' ' HIS . 43.0 Cg_endo -69.68 125.47 12.22 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.328 3.352 . . . . 1.0 109.566 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.6 p30 -85.39 9.09 16.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 1.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.22 147.44 44.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 1.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -79.37 126.31 6.79 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.303 3.335 . . . . 1.0 109.583 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.0 m -101.35 141.79 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.0 109.327 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.36 141.39 50.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 1.0 110.262 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 12' ' ' LYS . 34.0 t -114.57 64.81 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 1.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 11' ' ' VAL . 6.8 mmtt -39.37 146.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 1.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -144.44 -149.87 5.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.447 1.092 . . . . 1.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -57.36 -73.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 1.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.427 ' N ' ' OG ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -146.03 46.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 110.325 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.557 ' HD2' ' CE1' ' A' ' 106' ' ' HIS . 0.2 OUTLIER -162.4 110.28 1.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 1.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.6 m -81.77 134.78 35.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 1.0 110.355 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.4 t -139.43 127.46 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 1.0 109.284 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -103.16 136.6 42.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -117.63 122.91 30.26 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 1.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.741 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 34.4 Cg_endo -87.39 137.95 4.47 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.302 3.335 . . . . 1.0 109.589 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.548 ' ND1' ' HG2' ' A' ' 5' ' ' PRO . 4.7 m80 -87.45 -33.11 19.16 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 124.134 0.896 . . . . 1.0 109.785 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.924 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.71 -54.87 19.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 1.0 109.243 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.924 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 26.2 Cg_exo -65.02 -4.95 9.86 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.313 3.342 . . . . 1.0 109.586 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -133.65 38.75 3.23 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 124.159 0.912 . . . . 1.0 109.78 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.539 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 10.6 tt0 -101.4 7.69 42.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 1.0 110.311 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.45 -4.8 10.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 1.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.2 t -102.47 117.68 48.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 1.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.548 ' OE1' HG12 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -39.5 134.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.075 . . . . 1.0 110.323 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.6 m -49.77 -61.13 2.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 1.0 108.315 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.548 HG12 ' OE1' ' A' ' 29' ' ' GLU . 7.6 p -40.27 -52.93 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 1.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.478 ' N ' HG13 ' A' ' 31' ' ' VAL . 3.7 m -36.9 -32.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -110.4 -54.22 2.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 1.0 108.283 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -83.61 75.25 10.06 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.008 -0.996 . . . . 1.0 109.782 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -48.65 159.71 0.22 Allowed 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.118 0.886 . . . . 1.0 109.778 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.42 150.74 25.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 1.0 109.286 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.2 t -124.56 113.07 34.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 1.0 109.248 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 52.83 40.69 31.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 1.0 109.279 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.01 31.39 61.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.118 . . . . 1.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.45 93.13 3.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.787 . . . . 1.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -44.25 124.19 3.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 1.0 110.317 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.2 t -134.21 158.55 43.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 1.0 110.035 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -142.89 56.72 1.41 Allowed 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.029 -0.987 . . . . 1.0 109.854 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.86 148.7 23.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -39.98 142.8 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 1.0 109.254 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.58 -36.57 35.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 1.0 108.313 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.09 51.43 0.96 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 1.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.35 154.34 42.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 1.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.0 98.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 1.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.81 -40.35 2.35 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 1.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 55.6 m -63.53 -129.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.317 -0.994 . . . . 1.0 108.317 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -86.04 72.13 10.48 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.999 -1.001 . . . . 1.0 109.772 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -126.81 51.49 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 1.0 109.318 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -150.95 90.67 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 1.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 14' ' ' SER . 0.5 OUTLIER -97.69 20.49 11.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 1.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.56 -5.88 24.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 1.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -85.9 -49.64 7.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 1.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 11.8 tptm 90.65 -23.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 1.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -164.44 125.34 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 1.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 154.53 -177.99 31.57 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.106 . . . . 1.0 111.047 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -85.09 14.54 4.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 1.0 110.338 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 1.7 mttt -136.06 40.19 2.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 1.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -135.47 143.86 46.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 1.0 110.03 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.6 tp -101.94 38.67 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 1.0 109.353 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -131.5 -37.39 1.21 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.827 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -87.77 -2.0 58.33 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 118.944 -0.551 . . . . 1.0 109.861 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.7 m -118.69 2.32 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -101.79 -49.27 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 1.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.688 ' O ' ' C ' ' A' ' 70' ' ' ALA . 31.4 m80 -92.95 -80.13 0.38 Allowed 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.988 -1.006 . . . . 1.0 109.763 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.949 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 11.69 89.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 1.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.434 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -91.93 29.63 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 1.0 110.282 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.87 -164.23 18.57 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 1.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -79.14 102.03 8.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 1.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.949 HD11 ' CB ' ' A' ' 70' ' ' ALA . 86.4 mt -110.09 158.82 17.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 1.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -45.31 -31.78 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 1.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -123.68 -142.73 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 1.0 109.595 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.9 m -126.77 105.15 8.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 1.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.882 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -68.6 165.78 18.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 1.0 110.008 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 16.2 m -60.92 -67.03 0.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 1.0 108.329 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.96 -22.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 1.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.812 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -63.82 -70.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 1.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 85' ' ' LYS . 52.5 t -49.86 -60.01 3.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 1.0 108.27 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -40.39 -30.8 0.12 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.024 -0.989 . . . . 1.0 109.798 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -48.99 67.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 1.0 109.986 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -66.73 -38.65 87.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 1.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.4 t -59.89 -49.86 82.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 1.0 109.258 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.462 HG21 HG21 ' A' ' 98' ' ' THR . 3.3 t -53.96 -32.08 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 1.0 109.258 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.3 -0.63 . . . . 1.0 109.3 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 74.5 mt -106.65 -19.02 13.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 1.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.462 HG21 HG21 ' A' ' 87' ' ' VAL . 2.2 p -131.29 27.38 4.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 1.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.57 133.24 11.23 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.552 1.157 . . . . 1.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 68.2 m -69.08 -29.4 67.5 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.291 -1.003 . . . . 1.0 108.291 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -139.94 172.85 12.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 45.79 38.05 3.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 1.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.3 p -119.98 -177.29 3.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 1.0 109.948 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.29 -0.5 55.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 1.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -108.54 -49.46 3.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 1.0 108.31 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.557 ' CE1' ' HD2' ' A' ' 16' ' ' LYS . 91.6 m-70 -117.19 58.06 2.11 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.75 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 106' ' ' HIS . 55.5 Cg_endo . . . . . 0 N--CA 1.447 -1.238 0 C-N-CA 124.327 3.352 . . . . 1.0 109.621 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' ' 4' ' ' VAL . 8.7 p -59.46 116.72 17.51 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 1.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -45.86 135.08 13.95 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.315 3.343 . . . . 1.0 109.626 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -84.23 7.46 19.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 1.0 109.306 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.23 152.62 77.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 1.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -74.84 162.98 36.5 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.252 3.301 . . . . 1.0 109.615 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.13 144.32 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 1.0 109.28 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -82.85 145.99 29.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.0 110.325 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.0 t -120.59 69.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 1.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.76 141.41 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.68 -149.36 5.54 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 1.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.434 ' OG ' ' N ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -57.76 -74.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 1.0 110.024 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.434 ' N ' ' OG ' ' A' ' 14' ' ' SER . 0.7 OUTLIER -147.19 46.65 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 1.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -161.05 94.17 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 1.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.3 m -70.95 133.7 46.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 1.0 110.416 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.2 t -140.42 127.01 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 1.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.8 ptp -103.06 138.83 39.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 1.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -116.04 124.44 29.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 1.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.742 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 32.5 Cg_endo -87.85 138.6 4.36 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.278 3.319 . . . . 1.0 109.582 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -87.64 -33.26 18.89 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 124.1 0.875 . . . . 1.0 109.753 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.912 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.95 -54.82 21.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 1.0 109.311 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.912 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 26.1 Cg_exo -65.31 -5.19 10.72 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.323 3.349 . . . . 1.0 109.616 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -134.7 40.57 2.95 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 124.172 0.92 . . . . 1.0 109.762 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.18 9.74 39.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 1.0 110.314 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.3 -3.5 9.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 1.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.7 t -103.34 123.02 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 1.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 32' ' ' THR . 2.2 mt-10 -44.63 134.07 5.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 1.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.6 m -49.99 -59.32 3.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 1.0 108.274 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 32' ' ' THR . 7.4 p -39.48 -48.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 1.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.404 ' CB ' ' O ' ' A' ' 29' ' ' GLU . 2.0 m -38.71 -39.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 110.397 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -105.37 -54.95 2.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 1.0 108.284 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -82.77 72.87 9.84 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.989 -1.005 . . . . 1.0 109.761 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 3.4 p-80 -48.53 160.55 0.16 Allowed 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.201 0.938 . . . . 1.0 109.765 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.41 147.53 29.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 1.0 109.321 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -121.21 113.09 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 52.71 41.24 31.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 1.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.96 35.08 62.71 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.55 1.156 . . . . 1.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -133.91 96.11 3.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 0.8 . . . . 1.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.34 123.03 3.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 1.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.7 t -137.86 158.68 43.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 1.0 109.959 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -140.95 56.35 1.56 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.939 -1.028 . . . . 1.0 109.814 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.47 144.92 25.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 1.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.48 149.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 1.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -36.0 29.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 108.285 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -107.71 62.69 0.29 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.479 1.112 . . . . 1.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.8 t -96.51 168.2 10.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.774 . . . . 1.0 110.005 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.8 p -53.39 128.28 27.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 61.73 51.76 55.24 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.153 . . . . 1.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.3 m -148.31 -142.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.329 -0.989 . . . . 1.0 108.329 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -90.77 82.91 5.69 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.026 -0.988 . . . . 1.0 109.763 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -134.42 48.94 2.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.078 . . . . 1.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -147.2 97.26 2.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.03 18.95 11.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 1.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.87 -38.53 8.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 1.0 110.414 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.549 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -55.79 -56.15 23.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 1.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.1 OUTLIER 91.11 -25.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 1.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.0 pttp -153.22 136.51 15.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 1.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.46 -179.38 17.8 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.571 1.17 . . . . 1.0 110.96 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.427 ' OE2' ' N ' ' A' ' 61' ' ' GLU . 3.7 pm0 -85.08 15.17 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 1.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -131.95 36.97 3.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 1.0 109.35 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -134.12 143.82 48.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 1.0 109.967 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 36.1 tp -101.65 37.74 1.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 109.298 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -131.54 -35.58 1.3 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.022 -0.99 . . . . 1.0 109.835 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -87.68 -0.79 57.38 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.861 -0.59 . . . . 1.0 109.822 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 m -120.47 1.89 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 1.0 109.321 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -102.3 -45.58 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 1.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.672 ' O ' ' C ' ' A' ' 70' ' ' ALA . 34.4 m80 -96.42 -81.19 0.42 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.773 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 1.068 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 14.97 85.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 1.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -85.14 13.39 6.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 1.0 110.324 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.93 -168.93 36.5 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 1.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -80.75 105.69 12.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 1.0 110.327 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.068 HD11 ' CB ' ' A' ' 70' ' ' ALA . 36.8 mt -112.06 173.81 6.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -49.5 -51.07 38.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 1.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 40.2 m-70 -107.98 -139.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 1.0 109.59 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.2 m -125.78 104.76 8.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 1.0 110.449 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.823 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -66.78 166.5 13.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 1.0 109.974 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 81' ' ' ALA . 10.9 m -61.5 -67.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 1.0 108.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.3 mm? -48.24 -22.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.789 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.52 -70.53 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 1.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.1 t -50.54 -58.67 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 1.0 108.306 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -41.42 -28.19 0.11 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.797 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 2.4 t -58.67 -46.34 87.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 1.0 110.015 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -71.94 -39.3 69.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 1.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.666 HG11 HD12 ' A' ' 97' ' ' LEU . 72.5 t -53.96 -44.69 62.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 1.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.875 HG21 HG21 ' A' ' 98' ' ' THR . 24.2 t -54.75 -28.9 20.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 1.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 1.0 109.264 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.553 ' C ' HD23 ' A' ' 97' ' ' LEU . 73.7 m-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.276 -0.639 . . . . 1.0 109.276 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.666 HD12 HG11 ' A' ' 86' ' ' VAL . 6.5 mt -108.17 -10.05 15.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 1.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.875 HG21 HG21 ' A' ' 87' ' ' VAL . 5.5 p -140.13 38.43 1.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 1.0 110.399 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -102.36 127.99 9.4 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 1.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 73.4 m -70.14 -30.16 67.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.295 -1.002 . . . . 1.0 108.295 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -146.25 169.6 18.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 1.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 106' ' ' HIS . 39.6 mttt 45.11 49.51 9.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 1.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.9 p -132.18 -166.85 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.19 2.75 51.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 1.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.419 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -117.62 -53.63 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 1.0 108.283 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 102' ' ' LYS . 88.6 m-70 -115.29 81.64 8.5 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.756 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 53.4 Cg_exo . . . . . 0 N--CA 1.446 -1.269 0 C-N-CA 124.368 3.378 . . . . 1.0 109.573 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.59 120.35 51.81 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 1.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -74.94 125.5 9.4 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.282 3.321 . . . . 1.0 109.603 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 6' ' ' ASP . 15.0 p-10 -85.11 8.99 16.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 1.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.92 94.8 31.25 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 1.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.686 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 10.4 Cg_exo -39.42 142.62 0.4 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.274 3.316 . . . . 1.0 109.594 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.88 148.28 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 1.0 109.259 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.7 142.04 29.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 1.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' GLY . 49.1 t -119.85 68.0 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 1.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 80.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 1.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' VAL . . . -56.01 -110.14 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.525 1.141 . . . . 1.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.595 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -80.91 -65.81 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 1.0 110.011 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.64 -60.71 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 1.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.02 134.56 56.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 1.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.2 m -98.16 133.42 42.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 110.408 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.0 t -135.95 128.35 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 1.0 109.354 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.98 135.33 48.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 1.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.46 ' CE1' ' ND1' ' A' ' 25' ' ' HIS . 19.9 t80 -111.99 126.12 29.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 1.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.761 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 30.4 Cg_endo -88.51 138.93 3.95 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.32 3.347 . . . . 1.0 109.575 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -87.47 -33.13 19.13 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.145 0.903 . . . . 1.0 109.737 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.926 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -48.57 -54.93 22.15 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 1.0 109.275 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.926 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 28.7 Cg_exo -64.92 -5.82 11.47 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.358 3.372 . . . . 1.0 109.582 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.46 ' ND1' ' CE1' ' A' ' 20' ' ' PHE . 62.2 m80 -135.0 40.79 2.89 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 124.202 0.939 . . . . 1.0 109.757 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.45 7.39 42.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 1.0 110.321 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.67 -22.19 9.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.554 ' CG1' HG21 ' A' ' 32' ' ' THR . 20.1 t -85.4 122.31 38.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 1.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.439 ' O ' ' CB ' ' A' ' 32' ' ' THR . 1.2 mt-10 -45.67 137.73 5.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 110.299 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 31' ' ' VAL . 4.7 m -50.08 -58.73 4.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 1.0 108.322 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.439 HG13 ' N ' ' A' ' 32' ' ' THR . 14.4 p -37.88 -47.47 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 1.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.554 HG21 ' CG1' ' A' ' 28' ' ' VAL . 3.8 m -38.02 -49.06 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 1.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 m -97.27 -54.09 3.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 108.256 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -82.83 68.24 9.23 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.017 -0.992 . . . . 1.0 109.744 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.563 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 7.6 p80 -48.7 160.84 0.16 Allowed 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.148 0.905 . . . . 1.0 109.795 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.432 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -82.22 152.02 26.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 1.0 109.309 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 82.6 t -123.2 112.79 35.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 1.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 54.05 40.96 32.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 1.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.59 33.57 62.79 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.524 1.14 . . . . 1.0 111.054 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.68 103.09 6.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 1.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -44.8 129.2 7.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 1.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.525 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 37.6 t -142.75 158.78 43.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 1.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.525 ' CD1' ' C ' ' A' ' 42' ' ' SER . 41.1 m-85 -149.12 55.37 0.99 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.865 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.72 149.37 22.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 1.0 109.356 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -40.63 145.92 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 1.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.479 ' SG ' HD11 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -48.77 -24.78 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 1.0 108.297 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 45' ' ' LYS . . . -117.27 66.66 0.33 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.524 1.14 . . . . 1.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.4 t -101.84 168.79 9.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 1.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.1 p -55.62 131.23 45.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 1.0 110.025 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.02 33.76 88.06 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.532 1.145 . . . . 1.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 13.4 m -134.37 -146.54 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -92.01 73.88 5.57 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.99 -1.005 . . . . 1.0 109.744 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -122.71 52.17 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 1.0 109.302 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -152.14 95.72 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 1.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.595 HD22 ' N ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -92.8 17.84 9.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -98.28 -50.09 4.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 1.0 110.428 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.537 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -39.62 -54.22 2.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 1.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 90.14 -35.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 1.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -148.05 115.76 6.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 1.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.75 160.32 9.57 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 1.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.83 -17.91 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 1.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 1.5 mptt -99.55 36.17 1.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 1.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 t -131.42 135.48 47.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 1.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.479 HD11 ' SG ' ' A' ' 46' ' ' CYS . 45.8 tp -99.09 37.62 1.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 1.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -129.86 -34.24 1.74 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.864 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -86.16 -5.0 59.28 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 118.961 -0.542 . . . . 1.0 109.878 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.3 m -116.6 3.36 7.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 1.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 t -102.97 -45.87 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 1.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.694 ' O ' ' C ' ' A' ' 70' ' ' ALA . 44.5 m80 -95.66 -81.48 0.4 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.792 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.985 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 10.36 92.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 1.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.416 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -89.84 22.4 3.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 1.0 110.342 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -101.55 -171.85 28.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 1.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -77.63 95.77 4.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 0.757 . . . . 1.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.985 HD11 ' CB ' ' A' ' 70' ' ' ALA . 73.4 mt -101.15 157.42 16.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 1.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 74' ' ' LEU . 1.5 mmtp -39.72 -33.96 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 1.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 35' ' ' HIS . 5.9 t60 -122.07 -143.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 109.578 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.406 ' H ' ' CG ' ' A' ' 76' ' ' HIS . 16.6 m -125.7 104.48 8.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 1.0 110.447 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.869 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.76 168.48 11.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 1.0 110.003 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 18.3 m -62.96 -66.21 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 1.0 108.268 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.6 OUTLIER -48.95 -22.48 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 1.0 109.271 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.766 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -63.54 -70.9 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 1.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 85' ' ' LYS . 52.6 t -49.6 -61.95 1.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 1.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -38.2 -29.28 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.783 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 4.5 t -58.5 -49.05 78.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 1.0 110.02 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -68.3 -36.66 79.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 1.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.407 HG11 ' CD1' ' A' ' 97' ' ' LEU . 93.1 t -58.83 -49.08 84.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.718 HG21 ' CG2' ' A' ' 98' ' ' THR . 6.6 t -54.9 -19.62 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 1.0 109.244 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.528 1.142 . . . . 1.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.333 -0.617 . . . . 1.0 109.333 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.407 ' CD1' HG11 ' A' ' 86' ' ' VAL . 34.3 mt -94.0 -19.52 20.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 1.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.718 ' CG2' HG21 ' A' ' 87' ' ' VAL . 1.5 p -134.55 38.74 3.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 1.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.38 127.23 9.18 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 1.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 71.7 m -69.21 -30.98 69.26 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.83 166.77 24.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 1.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 46.61 44.76 13.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 1.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.14 -161.15 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 1.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -97.29 12.21 33.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 1.0 109.355 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.443 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.7 OUTLIER -127.21 -53.95 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 1.0 108.314 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -110.89 67.56 0.56 Allowed Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.767 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.443 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 43.6 Cg_endo . . . . . 0 N--CA 1.447 -1.219 0 C-N-CA 124.301 3.334 . . . . 1.0 109.615 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.358 -0.608 . . . . 1.0 109.358 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.85 122.5 79.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 1.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -72.75 123.41 8.97 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.294 3.329 . . . . 1.0 109.618 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.41 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 23.9 p-10 -87.06 11.0 14.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.43 87.64 21.17 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 1.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.611 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 16.8 Cg_exo -42.42 148.86 0.37 Allowed 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.316 3.344 . . . . 1.0 109.616 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.33 148.17 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 1.0 109.313 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.59 146.99 27.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 1.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.0 t -123.74 75.38 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 1.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.9 90.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 1.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.32 -147.53 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 1.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -60.19 3.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 1.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -148.51 47.23 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 1.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.39 111.44 1.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 1.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 91.9 m -79.47 129.12 34.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 1.0 110.396 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 t -140.01 126.54 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 1.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -107.79 134.23 51.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 1.0 111.017 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.476 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 23.8 t80 -110.86 123.41 35.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 1.0 110.956 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.785 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 32.6 Cg_endo -87.98 140.1 4.78 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 124.315 3.344 . . . . 1.0 109.564 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -87.3 -34.34 18.92 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.107 0.88 . . . . 1.0 109.754 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.937 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -48.28 -55.19 19.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 1.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.937 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 31.6 Cg_exo -62.78 -6.93 10.03 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.3 3.333 . . . . 1.0 109.599 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.476 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 69.9 m80 -132.9 40.78 3.21 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 124.161 0.913 . . . . 1.0 109.754 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.565 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 24.6 tt0 -101.18 6.43 43.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 1.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -122.03 -0.78 9.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 1.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.1 t -102.31 125.47 56.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 1.0 109.249 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -44.68 126.49 5.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 1.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.8 m -47.65 -60.64 2.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.127 . . . . 1.0 108.274 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.658 HG23 HD21 ' A' ' 36' ' ' LEU . 2.9 p -39.63 -52.06 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 1.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 31' ' ' VAL . 2.8 m -36.93 -35.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 1.0 110.417 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.13 -51.44 2.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 1.0 108.285 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -84.84 65.53 9.2 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.751 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -43.06 159.83 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.606 0 O-C-N 124.178 0.924 . . . . 1.0 109.759 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.682 ' N ' HD23 ' A' ' 36' ' ' LEU . 1.4 mt -84.02 148.35 26.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.4 t -117.52 112.49 39.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 1.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 54.5 40.75 32.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 1.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.03 40.09 72.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.545 1.153 . . . . 1.0 111.044 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -127.7 113.56 16.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 1.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.85 98.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 1.0 110.318 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -126.21 157.35 38.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 1.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -139.21 54.08 1.72 Allowed 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.041 -0.981 . . . . 1.0 109.804 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.66 140.57 30.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 1.0 109.335 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.34 145.51 47.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 1.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.83 174.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 1.0 108.276 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.57 47.98 56.46 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.472 1.107 . . . . 1.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.0 t -115.08 167.58 10.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 1.0 109.957 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 t -64.67 130.3 43.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 1.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.406 ' C ' ' SG ' ' A' ' 51' ' ' CYS . . . 70.2 41.89 68.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 1.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.406 ' SG ' ' C ' ' A' ' 50' ' ' GLY . 17.6 m -150.81 -145.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.323 -0.992 . . . . 1.0 108.323 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -88.16 96.81 10.68 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.99 -1.004 . . . . 1.0 109.791 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -146.45 53.51 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 1.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.67 95.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 1.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.04 19.27 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 1.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.05 -6.23 28.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 1.0 110.395 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.55 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -84.74 -50.85 7.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 1.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.55 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 91.08 -27.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 1.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -155.1 136.32 13.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 1.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 137.01 178.71 16.05 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 1.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -84.01 13.27 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 0.744 . . . . 1.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -128.54 35.58 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 1.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -133.9 147.78 51.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 1.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 35.7 tp -105.91 40.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 1.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -133.2 -37.16 0.98 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.842 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -86.87 1.39 52.65 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.89 -0.576 . . . . 1.0 109.798 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.1 m -123.0 0.45 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 1.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -102.43 -45.26 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 1.0 109.245 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.682 ' O ' ' C ' ' A' ' 70' ' ' ALA . 35.7 m80 -96.2 -81.19 0.41 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.037 -0.983 . . . . 1.0 109.773 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 1.066 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 13.39 90.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 1.0 109.325 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.417 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -91.55 21.41 4.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 1.0 110.315 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -101.86 -161.33 26.71 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 1.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.37 102.69 12.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 1.0 110.308 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.066 HD11 ' CB ' ' A' ' 70' ' ' ALA . 59.4 mt -110.97 171.14 7.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 1.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -50.92 37.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 1.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -108.15 -139.7 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 1.0 109.609 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.2 m -125.96 104.68 8.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 1.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.861 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -66.22 166.6 11.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 1.0 110.061 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 81' ' ' ALA . 9.0 m -61.52 -66.16 0.58 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 1.0 108.262 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -48.73 -22.24 0.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 1.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.789 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -65.45 -71.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 1.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 85' ' ' LYS . 54.0 t -49.09 -65.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 1.0 108.257 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -34.41 -35.58 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.988 -1.006 . . . . 1.0 109.796 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 1.3 t -53.36 -50.75 64.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 1.0 110.004 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.59 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.8 mmtm -66.2 -37.32 85.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 1.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.535 ' CG1' ' CD1' ' A' ' 97' ' ' LEU . 91.3 t -59.35 -52.09 64.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 1.0 109.258 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.494 HG21 HG23 ' A' ' 98' ' ' THR . 3.0 t -54.35 -19.85 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 1.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 1.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.32 -0.622 . . . . 1.0 109.32 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.535 ' CD1' ' CG1' ' A' ' 86' ' ' VAL . 32.6 mt -94.32 -33.33 13.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 1.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.494 HG23 HG21 ' A' ' 87' ' ' VAL . 13.4 p -124.16 44.96 2.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 110.43 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.25 125.8 8.7 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.139 . . . . 1.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.3 m -70.28 -30.19 67.14 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.345 -0.983 . . . . 1.0 108.345 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.8 167.34 22.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 1.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.36 44.75 1.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 1.0 109.262 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.426 ' OG ' ' N ' ' A' ' 104' ' ' LYS . 3.1 p -119.56 -151.73 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 1.0 110.027 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -106.43 16.88 24.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 1.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.435 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -133.83 -52.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 1.0 108.272 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -111.67 66.4 0.68 Allowed Pre-proline 0 CA--C 1.54 0.569 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.749 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.435 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 29.9 Cg_endo . . . . . 0 N--CA 1.447 -1.239 0 C-N-CA 124.301 3.334 . . . . 1.0 109.588 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.305 -0.628 . . . . 1.0 109.305 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.86 124.36 57.52 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 1.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.15 130.93 19.69 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.298 3.332 . . . . 1.0 109.584 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -84.03 7.25 19.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 1.0 109.274 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.9 148.12 42.68 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 1.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -78.62 137.91 14.84 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.35 3.367 . . . . 1.0 109.581 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.47 131.99 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 1.0 109.296 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.19 143.53 52.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.3 t -124.62 71.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 1.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 94.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.5 -150.01 1.47 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 1.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -62.42 1.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 0.719 . . . . 1.0 110.048 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -146.0 46.55 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.93 125.83 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 1.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.7 m -93.61 120.04 33.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 1.0 110.391 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.4 t -129.24 126.22 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 1.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -99.86 136.86 39.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 1.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -117.21 122.85 30.65 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 1.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.761 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 34.5 Cg_endo -88.25 138.83 4.13 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.305 3.337 . . . . 1.0 109.622 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -87.63 -33.49 18.81 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 124.137 0.898 . . . . 1.0 109.783 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.917 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.61 -54.79 20.15 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 1.0 109.295 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.917 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 39.7 Cg_exo -63.93 -5.5 9.26 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.316 3.344 . . . . 1.0 109.598 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -134.32 40.19 3.03 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.115 0.885 . . . . 1.0 109.77 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.13 6.33 44.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 1.0 110.286 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.43 -21.57 10.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 1.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.464 HG12 ' HB ' ' A' ' 32' ' ' THR . 18.3 t -85.52 120.94 36.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 1.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.49 137.05 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 1.0 110.258 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' HIS . 7.5 m -49.39 -61.44 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 1.0 108.292 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 32' ' ' THR . 4.2 p -40.14 -52.18 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 1.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.464 ' HB ' HG12 ' A' ' 28' ' ' VAL . 2.9 m -37.09 -32.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 1.0 110.383 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -111.1 -54.72 2.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 1.0 108.32 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.4 m-70 -82.9 73.82 9.91 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 114.955 -1.021 . . . . 1.0 109.72 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -47.82 161.66 0.09 Allowed 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.148 0.905 . . . . 1.0 109.733 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.43 ' N ' HD23 ' A' ' 36' ' ' LEU . 5.1 mt -85.85 150.6 24.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 1.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.7 t -118.85 112.57 38.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 54.74 41.29 32.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 1.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.2 38.5 67.7 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 1.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.03 125.54 23.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 1.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -48.46 125.73 10.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.595 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 33.5 t -135.48 150.08 49.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 1.0 110.039 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 42' ' ' SER . 73.2 m-85 -156.97 46.53 0.41 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.01 -0.996 . . . . 1.0 109.802 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 45' ' ' LYS . . . -96.65 153.03 18.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 1.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' ALA . 1.5 mmtp -39.89 148.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.9 -32.91 15.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 108.332 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.21 65.97 0.31 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 1.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -98.45 168.26 10.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 0.777 . . . . 1.0 109.974 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.2 p -48.05 121.77 4.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 1.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.07 45.94 68.94 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 1.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 14.0 m -144.43 -145.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -92.66 73.92 5.03 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.766 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -126.73 53.89 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 1.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -159.39 94.55 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 1.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.791 HD21 ' HB3' ' A' ' 64' ' ' LEU . 4.2 mm? -90.56 15.32 11.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 1.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.8 m -72.19 -19.82 61.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 1.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.61 161.05 14.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 1.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.574 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 50.9 tttt -101.35 -4.3 27.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 1.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.67 132.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 1.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 155.95 157.4 8.27 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 1.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.74 -16.88 12.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 0.727 . . . . 1.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -108.95 39.31 2.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 1.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 t -134.47 139.47 45.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 1.0 109.982 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.791 ' HB3' HD21 ' A' ' 55' ' ' LEU . 44.4 tp -99.03 37.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 1.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 3.6 t80 -129.89 -34.53 1.71 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.962 -1.017 . . . . 1.0 109.849 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -87.57 -1.56 58.02 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 118.871 -0.585 . . . . 1.0 109.799 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.3 m -119.59 5.06 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 1.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -106.19 -42.92 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 1.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.684 ' O ' ' C ' ' A' ' 70' ' ' ALA . 36.3 m80 -98.91 -82.25 0.44 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.035 -0.984 . . . . 1.0 109.736 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.918 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 12.98 90.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 1.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.67 28.1 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 1.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.94 -166.92 20.68 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 1.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -78.43 102.52 7.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 0.793 . . . . 1.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.918 HD11 ' CB ' ' A' ' 70' ' ' ALA . 82.0 mt -110.0 157.59 19.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 1.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.71 -31.21 1.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 1.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -122.17 -142.46 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 1.0 109.553 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 28.4 m -128.99 104.76 7.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 1.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.87 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -69.12 166.73 17.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 1.0 109.985 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.412 ' C ' ' N ' ' A' ' 81' ' ' ALA . 6.1 m -62.15 -66.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 1.0 108.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -48.18 -23.05 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 1.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.784 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.05 -69.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 1.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 84' ' ' SER . 42.1 t -53.18 -62.54 1.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 1.0 108.313 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -37.95 -29.25 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.745 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 82' ' ' CYS . 3.1 p -58.2 -52.09 67.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 1.0 110.016 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 82' ' ' CYS . 0.1 OUTLIER -66.38 -36.66 83.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 1.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.567 HG11 ' CD1' ' A' ' 97' ' ' LEU . 54.6 t -54.0 -40.42 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 1.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.4 t -54.65 -28.48 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 1.0 109.253 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 1.0 109.255 -179.937 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.286 -0.635 . . . . 1.0 109.286 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.567 ' CD1' HG11 ' A' ' 86' ' ' VAL . 18.4 mt -113.18 -11.53 13.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.6 p -144.27 40.84 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.0 110.376 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.2 128.06 9.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 1.0 110.997 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 79.3 m -70.17 -31.84 69.51 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.413 ' O ' ' CG ' ' A' ' 102' ' ' LYS . . . -140.56 173.85 11.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 1.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER 46.5 31.44 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 1.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.5 t -114.85 179.91 3.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 1.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.557 ' HZ3' ' N ' ' A' ' 105' ' ' CYS . 0.0 OUTLIER -86.0 -3.25 58.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.557 ' N ' ' HZ3' ' A' ' 104' ' ' LYS . 0.8 OUTLIER -103.73 -39.17 6.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 1.0 108.306 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.557 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 81.5 m-70 -130.08 51.04 6.77 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 114.952 -1.022 . . . . 1.0 109.767 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 106' ' ' HIS . 28.7 Cg_endo . . . . . 0 N--CA 1.447 -1.223 0 C-N-CA 124.326 3.351 . . . . 1.0 109.589 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.284 -0.636 . . . . 1.0 109.284 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.6 p -42.8 128.4 3.13 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 1.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.689 ' HG2' ' ND1' ' A' ' 22' ' ' HIS . 25.7 Cg_endo -63.11 138.31 66.55 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.323 3.349 . . . . 1.0 109.573 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -94.96 25.42 4.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 1.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.486 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -152.63 146.82 18.56 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 1.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.486 ' HD2' ' CG ' ' A' ' 7' ' ' LYS . 57.1 Cg_endo -70.1 135.25 29.19 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.293 3.329 . . . . 1.0 109.64 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.7 m -104.39 144.37 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 1.0 109.262 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.52 140.82 44.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 1.0 110.289 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.1 t -121.21 69.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 1.0 109.311 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -43.62 127.22 4.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 1.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.61 -153.31 10.61 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.5 1.125 . . . . 1.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.7 -71.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 1.0 110.047 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.57 43.43 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 1.0 110.238 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -161.83 137.66 7.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 1.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.6 m -99.47 130.82 45.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.0 110.411 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.5 t -133.27 126.62 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 1.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.64 130.02 51.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 1.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.457 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 22.3 t80 -111.06 124.2 33.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 111.023 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.732 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 33.7 Cg_endo -87.97 138.65 4.29 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.367 3.378 . . . . 1.0 109.561 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.689 ' ND1' ' HG2' ' A' ' 5' ' ' PRO . 7.7 m80 -88.06 -32.68 18.63 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 124.135 0.897 . . . . 1.0 109.767 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.9 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.84 -54.27 25.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 1.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.9 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 27.6 Cg_exo -65.47 -4.97 10.46 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.307 3.338 . . . . 1.0 109.58 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.457 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 69.5 m80 -133.7 38.84 3.22 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 124.104 0.877 . . . . 1.0 109.739 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.56 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 8.4 tt0 -100.3 6.73 44.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.0 110.275 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -116.06 -9.19 11.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 1.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.409 HG12 ' HB ' ' A' ' 32' ' ' THR . 20.3 t -99.27 125.1 52.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 1.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.96 136.67 11.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 1.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 34' ' ' HIS . 7.1 m -49.58 -61.52 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 1.0 108.326 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 32' ' ' THR . 3.4 p -40.31 -52.2 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' VAL . 3.1 m -37.05 -34.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 1.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -108.35 -55.51 2.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 1.0 108.283 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.5 m-70 -82.1 74.79 9.05 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.957 -1.019 . . . . 1.0 109.713 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.413 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 3.5 p80 -48.47 161.64 0.12 Allowed 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.162 0.914 . . . . 1.0 109.78 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.52 155.36 21.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 1.0 109.34 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.7 t -120.73 113.54 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 1.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 57.21 41.65 26.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.22 33.5 70.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.568 1.168 . . . . 1.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -137.01 126.9 25.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 1.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -43.8 143.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 1.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.484 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -149.13 147.81 28.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 1.0 110.0 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.484 ' CD1' ' O ' ' A' ' 42' ' ' SER . 79.1 m-85 -154.72 43.1 0.49 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.019 -0.991 . . . . 1.0 109.818 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.13 148.41 22.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 109.336 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.95 144.23 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 1.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -47.02 -32.18 3.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 1.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.25 63.86 0.28 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.549 1.156 . . . . 1.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.8 t -97.93 168.4 10.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 0.745 . . . . 1.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.5 t -54.55 133.11 46.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 1.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.12 37.32 94.28 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 1.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.9 m -136.31 -145.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.27 -1.011 . . . . 1.0 108.27 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -89.57 80.33 6.69 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.76 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -129.91 55.86 1.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 1.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.61 89.37 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 1.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.08 -17.17 61.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 1.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' ALA . 1.8 m -72.09 -33.35 67.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 110.366 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.523 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -39.54 -62.55 0.67 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 1.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 89.95 -35.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 1.0 109.347 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.72 125.35 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 1.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.21 -178.18 29.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.125 . . . . 1.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.93 15.57 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 1.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -135.87 39.47 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 1.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -134.68 149.29 50.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 1.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 39.8 tp -106.58 40.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -132.42 -37.29 1.08 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.967 -1.015 . . . . 1.0 109.829 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -86.58 -4.45 59.17 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 118.843 -0.599 . . . . 1.0 109.782 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.4 m -115.58 2.58 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 1.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -100.47 -49.71 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 1.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.676 ' O ' ' C ' ' A' ' 70' ' ' ALA . 22.4 m80 -94.46 -79.7 0.42 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.76 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 1.043 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 14.56 90.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 1.0 109.275 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.37 21.8 5.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 1.0 110.33 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.72 -164.61 25.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 1.0 111.042 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.78 105.07 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.75 . . . . 1.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.043 HD11 ' CB ' ' A' ' 70' ' ' ALA . 74.7 mt -114.19 172.68 6.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 1.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -51.28 63.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 1.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.413 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 24.1 m-70 -107.33 -139.37 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 1.0 109.604 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.3 m -126.23 103.97 7.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.849 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -65.13 167.09 8.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 1.0 110.007 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 14.7 m -62.43 -66.15 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 1.0 108.322 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.76 -21.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 1.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.769 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -65.5 -70.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 1.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.2 t -50.13 -57.81 6.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 1.0 108.321 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.639 ' O ' HG23 ' A' ' 87' ' ' VAL . 11.7 m170 -42.46 -31.34 0.42 Allowed 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 114.979 -1.01 . . . . 1.0 109.791 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 0.8 OUTLIER -58.4 -47.0 85.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 1.0 110.005 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.43 -38.84 74.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.596 HG11 ' CD1' ' A' ' 97' ' ' LEU . 72.2 t -53.89 -37.63 34.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.132 . . . . 1.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 83' ' ' HIS . 79.5 t -55.18 -23.8 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 1.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.323 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.428 ' C ' HD23 ' A' ' 97' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.296 -0.631 . . . . 1.0 109.296 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.596 ' CD1' HG11 ' A' ' 86' ' ' VAL . 12.1 mt -107.74 -26.77 10.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 1.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.2 p -125.32 56.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 1.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -116.57 128.38 7.91 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 1.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.1 m -72.32 -31.54 65.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.32 -0.993 . . . . 1.0 108.32 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 106' ' ' HIS . . . -149.77 172.63 14.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 1.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 44.68 41.52 5.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 1.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.9 p -124.71 -162.39 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 1.0 109.961 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -94.3 8.72 40.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 1.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.448 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.6 OUTLIER -122.41 -53.23 1.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 1.0 108.321 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.4 ' O ' ' HA ' ' A' ' 101' ' ' ALA . 92.5 m-70 -112.28 65.79 0.78 Allowed Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.775 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.448 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 58.7 Cg_endo . . . . . 0 N--CA 1.448 -1.198 0 C-N-CA 124.334 3.356 . . . . 1.0 109.546 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.286 -0.635 . . . . 1.0 109.286 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.1 p -62.94 121.4 68.44 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 1.0 109.306 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -76.2 125.46 8.54 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.336 3.357 . . . . 1.0 109.555 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.4 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 2.1 p30 -87.57 11.46 14.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 1.0 109.267 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.06 88.87 23.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.618 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 12.8 Cg_exo -41.2 144.01 0.67 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.344 3.362 . . . . 1.0 109.553 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.68 146.27 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 1.0 109.341 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.92 141.48 32.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 1.0 110.354 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 18' ' ' VAL . 13.4 t -118.45 79.3 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 1.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -65.61 98.44 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 1.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.61 -148.5 1.6 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 1.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -65.86 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 1.0 110.015 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -143.15 45.19 1.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 1.0 110.281 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.83 133.13 6.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 1.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.0 m -95.3 126.82 40.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 1.0 110.43 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 11' ' ' VAL . 40.5 t -132.69 125.99 53.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 1.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -105.48 134.56 48.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 1.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.419 ' CE1' ' ND1' ' A' ' 25' ' ' HIS . 19.2 t80 -113.22 124.46 31.42 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 1.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.752 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 34.2 Cg_endo -87.54 138.77 4.67 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.335 3.357 . . . . 1.0 109.59 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -87.18 -34.06 19.15 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 124.116 0.885 . . . . 1.0 109.736 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.927 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.74 -55.23 18.04 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 1.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.927 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 27.8 Cg_exo -64.57 -5.35 9.97 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.33 3.354 . . . . 1.0 109.609 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.419 ' ND1' ' CE1' ' A' ' 20' ' ' PHE . 72.6 m80 -134.39 40.16 3.02 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.149 0.906 . . . . 1.0 109.759 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.21 9.7 38.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -121.99 -3.2 9.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.4 t -102.5 124.62 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 1.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -43.7 127.23 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 1.0 110.307 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.4 m -45.74 -60.36 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 1.0 108.303 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.671 HG22 HD21 ' A' ' 36' ' ' LEU . 4.0 t -40.53 -51.86 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 1.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 31' ' ' VAL . 3.5 m -37.5 -31.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 110.372 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -110.99 -50.89 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 1.0 108.323 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -85.88 73.8 10.28 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.746 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -50.45 160.33 0.41 Allowed 'General case' 0 CA--C 1.539 0.538 0 O-C-N 124.131 0.895 . . . . 1.0 109.739 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.752 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -83.65 152.34 24.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 1.0 109.311 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.8 t -122.03 111.66 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 1.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 52.39 40.62 29.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 1.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.82 33.21 62.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 1.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -129.27 109.27 10.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 1.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -45.28 122.06 3.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 1.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.424 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 12.0 t -135.17 158.43 44.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 1.0 109.997 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.424 ' CD1' ' C ' ' A' ' 42' ' ' SER . 75.9 m-85 -152.45 56.17 0.81 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.044 -0.98 . . . . 1.0 109.819 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -110.32 151.03 27.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 1.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -53.31 153.32 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 1.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.9 m -53.44 -35.91 61.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 1.0 108.344 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.61 56.45 1.95 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.116 . . . . 1.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.8 t -104.91 166.83 10.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 1.0 109.965 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.1 p -51.66 121.38 6.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 1.0 109.99 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.61 55.57 24.41 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.535 1.147 . . . . 1.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.1 m -149.3 -142.9 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.354 -0.98 . . . . 1.0 108.354 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -92.25 84.6 5.24 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.026 -0.988 . . . . 1.0 109.758 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 14.6 p-10 -132.64 61.27 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.34 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -159.94 98.04 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 1.0 109.341 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.571 HD21 ' HB3' ' A' ' 64' ' ' LEU . 3.6 mm? -91.04 15.86 10.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 1.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -105.4 -43.48 4.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 1.0 110.389 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.539 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -37.75 -55.91 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 1.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.539 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER 90.5 -37.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 1.0 109.279 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -153.83 134.54 13.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 1.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 140.01 -177.9 20.23 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 1.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -85.33 15.68 4.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 1.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -133.64 38.54 3.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 1.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 t -135.39 142.89 45.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 1.0 110.015 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.571 ' HB3' HD21 ' A' ' 55' ' ' LEU . 44.6 tp -102.46 39.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 1.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.431 ' CE2' ' HE2' ' A' ' 58' ' ' LYS . 5.5 t80 -131.73 -35.31 1.28 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.835 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -88.02 -1.15 57.82 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.933 -0.556 . . . . 1.0 109.817 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.2 m -119.0 2.0 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 1.0 109.29 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.2 t -100.75 -48.68 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 1.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.676 ' O ' ' C ' ' A' ' 70' ' ' ALA . 27.3 m80 -94.53 -79.86 0.41 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.737 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.968 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 13.94 87.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 1.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.418 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -89.26 21.48 3.25 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.49 1.119 . . . . 1.0 110.279 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.93 -168.85 26.18 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 1.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -77.75 104.11 8.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 1.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.968 HD11 ' CB ' ' A' ' 70' ' ' ALA . 69.2 mt -110.5 166.15 11.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 1.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -31.38 23.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 1.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -124.0 -145.27 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.152 . . . . 1.0 109.589 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.7 m -124.36 104.89 9.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 1.0 110.403 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.829 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -68.8 166.51 17.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 1.0 109.988 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.41 ' C ' ' N ' ' A' ' 81' ' ' ALA . 17.4 m -61.53 -66.99 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 1.0 108.325 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -47.89 -22.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 1.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.804 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -63.82 -70.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 1.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 85' ' ' LYS . 49.7 t -49.59 -59.7 3.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 1.0 108.296 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.808 ' O ' HG23 ' A' ' 87' ' ' VAL . 12.4 m170 -40.29 -28.01 0.05 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.049 -0.978 . . . . 1.0 109.775 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 4.6 t -65.27 -50.77 64.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 1.0 109.986 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.48 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -66.09 -38.96 89.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 1.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 44.4 t -55.85 -46.15 79.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 83' ' ' HIS . 69.6 t -55.6 -27.03 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 1.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 1.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.285 -0.635 . . . . 1.0 109.285 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.7 mt -109.08 -25.26 10.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 1.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.601 HG21 HG21 ' A' ' 87' ' ' VAL . 3.9 p -129.17 36.69 4.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 1.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.09 130.67 10.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.109 . . . . 1.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 74.8 m -69.3 -29.86 67.81 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.298 -1.001 . . . . 1.0 108.298 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -140.0 173.13 11.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 1.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.6 mttt 44.31 46.41 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 1.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 71.7 p -129.99 -174.91 3.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 1.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -85.72 -6.24 59.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 1.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.1 m -104.51 -46.25 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 1.0 108.327 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -123.4 81.76 53.07 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 114.993 -1.003 . . . . 1.0 109.776 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo . . . . . 0 N--CA 1.447 -1.254 0 C-N-CA 124.336 3.357 . . . . 1.0 109.565 179.927 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.9 p -58.85 121.79 57.11 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 1.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.38 125.51 9.12 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.338 3.359 . . . . 1.0 109.622 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.4 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 6.5 p-10 -87.67 11.79 14.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 1.0 109.344 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.28 88.18 22.24 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 1.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.591 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 12.2 Cg_exo -41.3 143.24 0.84 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.342 3.361 . . . . 1.0 109.601 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.32 147.85 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 109.317 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.38 142.87 31.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 1.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' VAL . 19.3 t -117.32 71.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 1.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -59.34 95.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 1.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.71 -146.51 0.7 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 1.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -65.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 1.0 110.007 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.91 44.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 1.0 110.248 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.39 132.94 7.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 1.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.7 m -97.61 121.21 39.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 1.0 110.394 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 11' ' ' VAL . 47.2 t -127.57 126.19 66.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 1.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.0 ptp -103.41 134.13 47.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.429 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 21.1 t80 -112.73 124.92 30.78 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 1.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.739 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 32.9 Cg_endo -87.59 138.38 4.49 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.385 3.39 . . . . 1.0 109.57 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -87.92 -32.62 18.83 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 124.159 0.912 . . . . 1.0 109.76 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.919 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -48.74 -55.0 22.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.919 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 27.0 Cg_exo -64.75 -5.49 10.52 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.305 3.337 . . . . 1.0 109.619 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.429 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 70.1 m80 -133.91 39.13 3.16 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 124.105 0.878 . . . . 1.0 109.771 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.5 6.1 44.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 1.0 110.296 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.15 -19.77 10.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 1.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -86.46 125.13 40.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 1.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.4 133.89 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 1.0 110.3 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' VAL . 8.2 m -48.85 -61.77 1.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 1.0 108.293 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' CYS . 2.6 t -39.9 -51.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 1.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' VAL . 2.3 m -37.39 -35.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 1.0 110.432 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -107.43 -52.35 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 1.0 108.306 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -84.94 72.42 10.8 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.779 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.476 ' CD2' ' ND1' ' A' ' 76' ' ' HIS . 2.2 p80 -47.78 160.68 0.12 Allowed 'General case' 0 CA--C 1.54 0.567 0 O-C-N 124.13 0.894 . . . . 1.0 109.756 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.65 154.92 24.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 1.0 109.355 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.9 t -125.03 112.6 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 1.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 54.74 40.33 31.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 1.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.78 32.4 61.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 1.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.92 102.75 5.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 1.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -43.96 129.56 5.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.458 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 41.4 t -146.68 157.68 43.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 1.0 110.008 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 42' ' ' SER . 29.5 m-85 -143.32 56.77 1.38 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.827 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.529 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -96.93 149.23 22.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 1.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' ALA . 17.5 tttt -40.01 149.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 1.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -47.51 -38.06 13.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 1.0 108.29 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.32 63.85 0.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.1 . . . . 1.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.529 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 28.1 t -97.83 167.56 10.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 1.0 110.035 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' SER . 1.6 t -39.14 123.52 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 1.0 110.033 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.06 55.31 31.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 1.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 14.2 m -146.13 -145.76 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.277 -1.009 . . . . 1.0 108.277 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -94.73 82.15 3.89 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.94 -1.027 . . . . 1.0 109.77 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -134.05 54.33 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 1.0 109.283 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -158.41 93.08 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 1.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.473 ' N ' HD12 ' A' ' 55' ' ' LEU . 5.2 mp -89.79 14.38 12.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 1.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.0 m -71.47 -20.82 62.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 1.0 110.436 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.97 161.67 14.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 1.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.443 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -101.83 -4.69 25.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 1.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -171.79 132.75 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 150.25 157.89 7.96 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 1.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.64 -27.27 48.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 0.776 . . . . 1.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 54' ' ' ASP . 0.5 OUTLIER -94.67 33.13 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 1.0 109.268 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.4 t -131.76 137.08 48.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 1.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 48.2 tp -99.74 36.66 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.443 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 5.8 t80 -129.28 -34.71 1.83 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.949 -1.023 . . . . 1.0 109.814 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.621 ' O ' ' CD2' ' A' ' 66' ' ' TYR . 67.2 t80 -88.92 10.58 20.84 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.895 -0.574 . . . . 1.0 109.819 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.8 m -131.43 9.34 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 1.0 109.31 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.1 t -115.74 -49.02 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 1.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.697 ' O ' ' C ' ' A' ' 70' ' ' ALA . 48.4 m80 -89.48 -63.77 1.24 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 114.944 -1.026 . . . . 1.0 109.76 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.957 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . -6.19 109.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 1.0 109.307 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -103.83 17.5 23.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 1.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.54 -179.47 32.27 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.528 1.142 . . . . 1.0 111.031 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -71.55 94.23 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 1.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.957 HD11 ' CB ' ' A' ' 70' ' ' ALA . 44.7 mt -98.12 155.75 16.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 1.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -43.03 -28.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 1.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.476 ' ND1' ' CD2' ' A' ' 35' ' ' HIS . 6.6 m170 -124.87 -142.63 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 1.0 109.621 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.9 m -131.18 106.24 8.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 110.38 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.807 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.01 166.47 13.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 1.0 109.968 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.4 ' C ' ' N ' ' A' ' 81' ' ' ALA . 13.8 m -62.17 -67.1 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 1.0 108.288 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -48.0 -23.26 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 1.0 109.338 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.19 -70.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 1.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 46.0 t -50.51 -55.52 15.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 1.0 108.328 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.848 ' O ' HG23 ' A' ' 87' ' ' VAL . 9.9 m170 -45.25 -25.65 0.4 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.975 -1.011 . . . . 1.0 109.724 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 2.5 t -61.18 -48.94 79.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 109.999 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 3.9 mmpt? -69.44 -37.14 77.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 1.0 109.272 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.51 HG11 ' CD1' ' A' ' 97' ' ' LEU . 85.4 t -56.57 -42.14 75.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 1.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 83' ' ' HIS . 98.2 t -54.47 -23.06 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 1.0 109.36 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.334 -0.617 . . . . 1.0 109.334 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.51 ' CD1' HG11 ' A' ' 86' ' ' VAL . 17.6 mt -111.59 -33.38 6.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.623 HG21 HG21 ' A' ' 87' ' ' VAL . 3.8 p -127.48 57.02 1.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 1.0 110.379 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -116.97 126.55 7.02 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 1.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.9 m -70.75 -30.21 66.66 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -147.67 163.66 35.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 1.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt 50.8 57.09 7.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 1.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.9 p -140.97 -153.56 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 1.0 109.971 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.61 16.11 24.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 1.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.23 -51.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.179 . . . . 1.0 108.29 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -118.72 82.65 20.64 Favored Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.755 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo . . . . . 0 N--CA 1.448 -1.204 0 C-N-CA 124.326 3.351 . . . . 1.0 109.598 179.867 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.31 -0.626 . . . . 1.0 109.31 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.5 p -46.77 121.83 6.91 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 1.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -75.95 127.02 9.75 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.343 3.362 . . . . 1.0 109.589 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 12.4 p-10 -87.98 11.06 16.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 1.0 109.313 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 92.06 27.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 1.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.699 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 12.6 Cg_exo -40.94 140.69 1.1 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.278 3.319 . . . . 1.0 109.614 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.02 147.32 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.0 109.284 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.4 ' O ' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -82.05 141.53 33.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 110.264 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLY . 33.9 t -119.87 68.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 1.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.55 80.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 1.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' VAL . . . -55.73 -109.87 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.113 . . . . 1.0 111.036 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.69 -65.37 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 1.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.97 -60.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 1.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 137.02 57.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 1.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.3 m -97.84 133.61 42.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 1.0 110.38 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.9 t -136.03 127.79 44.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 1.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.5 130.84 55.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 1.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.458 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 19.5 t80 -106.41 125.65 32.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 1.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.768 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 29.8 Cg_endo -88.85 139.42 3.83 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.29 3.326 . . . . 1.0 109.626 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -87.54 -33.6 18.88 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 124.164 0.915 . . . . 1.0 109.787 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.909 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -48.23 -54.8 22.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.909 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 38.3 Cg_exo -63.85 -6.35 10.77 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.357 3.372 . . . . 1.0 109.597 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.458 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 65.1 m80 -134.13 41.26 2.99 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 124.185 0.928 . . . . 1.0 109.793 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.24 5.84 46.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 1.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.98 -21.81 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 1.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.6 t -84.89 125.26 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 1.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.429 ' HB2' ' OG1' ' A' ' 32' ' ' THR . 6.9 mm-40 -50.11 137.73 17.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 1.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' VAL . 4.0 m -50.94 -58.33 6.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 1.0 108.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' CYS . 3.6 p -37.33 -50.02 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 1.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 31' ' ' VAL . 1.9 m -35.96 -53.11 0.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 1.0 110.363 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 m -92.29 -54.72 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 1.0 108.288 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.403 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.1 m-70 -82.08 67.95 8.28 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.768 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -48.14 160.37 0.15 Allowed 'General case' 0 CA--C 1.539 0.537 0 O-C-N 124.191 0.932 . . . . 1.0 109.801 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.23 150.96 28.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 1.0 109.278 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.1 t -122.85 112.67 34.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 1.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t0 54.09 40.78 31.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 1.0 109.254 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.11 34.69 62.68 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 1.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -133.77 102.13 5.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 1.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.2 128.19 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 1.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.461 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 30.9 t -140.97 156.47 46.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 1.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 42' ' ' SER . 49.4 m-85 -147.16 56.44 1.12 Allowed 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.834 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.47 145.51 26.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.409 ' C ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -39.84 144.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 1.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.407 ' SG ' HD11 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -49.35 -24.86 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 1.0 108.282 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 45' ' ' LYS . . . -116.07 65.17 0.32 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 1.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -105.53 168.88 8.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.76 . . . . 1.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.0 m -59.31 135.36 57.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 1.0 109.997 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.75 38.98 96.99 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 1.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 13.8 m -144.25 -145.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.32 -0.993 . . . . 1.0 108.32 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -92.71 78.72 4.81 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.767 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -125.28 57.27 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 1.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.442 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.4 OUTLIER -153.04 91.42 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 1.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.47 -10.29 56.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 1.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 m -71.63 -15.75 62.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 1.0 110.356 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.02 161.33 17.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 1.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.558 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -110.37 -15.45 13.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 1.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -174.12 138.59 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 1.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 146.3 157.26 7.24 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.595 1.185 . . . . 1.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -18.38 11.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 0.791 . . . . 1.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 2.6 mttp -105.25 35.02 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 1.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -131.75 134.19 45.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.158 . . . . 1.0 110.013 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.407 HD11 ' SG ' ' A' ' 46' ' ' CYS . 42.0 tp -95.59 34.42 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 1.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 2.3 t80 -127.1 -33.33 2.43 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.974 -1.012 . . . . 1.0 109.829 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -87.61 -2.75 58.83 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 118.882 -0.58 . . . . 1.0 109.84 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.3 m -119.57 5.24 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 1.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 t -106.17 -44.17 7.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 1.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.694 ' O ' ' C ' ' A' ' 70' ' ' ALA . 47.0 m80 -97.15 -81.72 0.42 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.044 -0.98 . . . . 1.0 109.795 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.977 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 10.73 90.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 1.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.16 24.78 2.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 1.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.05 -165.49 24.92 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 1.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -81.56 98.62 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 1.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.977 HD11 ' CB ' ' A' ' 70' ' ' ALA . 75.9 mt -105.36 157.93 16.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -42.87 -36.19 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -117.41 -142.14 0.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 1.0 109.623 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.5 m -128.7 103.97 7.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 1.0 110.434 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.876 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.41 167.36 12.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 1.0 110.029 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 12.8 m -62.14 -65.87 0.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 1.0 108.3 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.6 OUTLIER -49.5 -22.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 1.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.777 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.8 -69.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 85' ' ' LYS . 51.5 t -51.15 -60.57 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 1.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.412 ' O ' HG23 ' A' ' 87' ' ' VAL . 11.8 m170 -39.78 -33.01 0.17 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.743 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.09 -46.73 84.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 1.0 110.022 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 82' ' ' CYS . 0.8 OUTLIER -68.75 -36.82 78.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 1.0 109.283 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.536 HG11 ' CD1' ' A' ' 97' ' ' LEU . 92.8 t -59.2 -41.87 85.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 1.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 83' ' ' HIS . 32.9 t -54.88 -25.03 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 1.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 1.0 109.302 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.46 ' C ' HD23 ' A' ' 97' ' ' LEU . 1.6 t70 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.295 -0.631 . . . . 1.0 109.295 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.536 ' CD1' HG11 ' A' ' 86' ' ' VAL . 10.3 mt -106.58 -30.17 9.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 1.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 44.2 p -109.8 -143.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 1.0 110.412 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 64.18 133.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.52 1.137 . . . . 1.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.4 m -74.58 -29.92 61.51 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.286 -1.005 . . . . 1.0 108.286 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.86 166.52 22.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 1.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.29 44.79 24.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 1.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.2 p -130.08 -179.58 5.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 1.0 110.028 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.73 3.59 50.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 1.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.443 ' C ' ' CD ' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -109.06 -49.54 3.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 1.0 108.3 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.48 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 90.0 m-70 -118.05 55.59 2.16 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 115.068 -0.969 . . . . 1.0 109.771 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 106' ' ' HIS . 38.4 Cg_endo . . . . . 0 N--CA 1.447 -1.215 0 C-N-CA 124.359 3.372 . . . . 1.0 109.56 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.344 -0.613 . . . . 1.0 109.344 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.587 HG11 ' OE2' ' A' ' 26' ' ' GLU . 9.6 p -62.49 123.29 78.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 1.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -72.03 126.78 12.15 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.286 3.324 . . . . 1.0 109.617 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -76.62 -1.84 29.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 1.0 109.282 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -110.9 148.46 38.66 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 1.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -79.37 142.13 16.44 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.3 3.333 . . . . 1.0 109.584 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 m -105.05 142.72 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 1.0 109.366 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.49 141.03 34.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 1.0 110.273 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.4 t -122.46 69.53 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -52.65 103.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 1.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.17 -149.61 7.79 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.539 1.149 . . . . 1.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -67.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 1.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.04 43.74 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 110.25 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.27 137.56 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 1.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.5 m -98.53 128.11 44.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 1.0 110.41 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.7 t -131.28 125.92 57.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 1.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -101.88 130.44 48.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 1.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -112.5 123.01 34.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 1.0 110.996 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.701 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 35.1 Cg_endo -87.22 137.49 4.41 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.345 3.364 . . . . 1.0 109.56 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -88.03 -32.84 18.59 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.189 0.931 . . . . 1.0 109.753 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.946 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.53 -55.19 17.6 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 1.0 109.294 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.946 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 24.3 Cg_exo -64.94 -4.6 9.13 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.315 3.343 . . . . 1.0 109.622 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -133.47 38.39 3.28 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.178 0.924 . . . . 1.0 109.756 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.587 ' OE2' HG11 ' A' ' 4' ' ' VAL . 6.6 tt0 -102.08 8.4 40.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.0 110.307 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.56 -5.64 10.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 1.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.8 t -103.71 117.23 48.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 1.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -39.18 137.67 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 1.0 110.276 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' HIS . 5.3 m -51.93 -61.91 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 1.0 108.289 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.487 HG13 ' H ' ' A' ' 32' ' ' THR . 2.9 p -38.73 -55.71 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 1.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.487 ' H ' HG13 ' A' ' 31' ' ' VAL . 7.9 m -34.77 -35.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.0 110.394 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -106.16 -54.79 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 1.0 108.322 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.2 m-70 -83.33 68.66 9.77 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.986 -1.006 . . . . 1.0 109.776 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.538 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 2.1 p80 -40.39 159.18 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.1 0.875 . . . . 1.0 109.75 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.79 152.17 24.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 1.0 109.31 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.3 t -121.58 111.71 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 1.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.16 40.47 31.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 1.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.42 33.42 66.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 1.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.18 101.99 5.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 1.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -43.71 130.48 5.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 1.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.414 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 10.6 t -146.03 154.2 41.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.996 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.414 ' CD1' ' C ' ' A' ' 42' ' ' SER . 23.4 m-85 -140.39 54.75 1.61 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.891 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.13 145.3 24.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 1.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.403 ' C ' ' N ' ' A' ' 47' ' ' GLY . 2.5 ttmt -39.84 143.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 1.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -47.84 -27.06 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 1.0 108.299 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 45' ' ' LYS . . . -118.38 67.39 0.35 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.437 1.086 . . . . 1.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.2 t -107.04 165.87 11.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 1.0 109.978 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 m -51.73 136.06 28.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 1.0 110.041 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.41 41.84 98.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.416 1.072 . . . . 1.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.5 m -143.77 -143.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -93.19 82.79 4.56 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.064 -0.971 . . . . 1.0 109.736 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -129.5 55.67 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 109.273 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.5 OUTLIER -153.65 97.9 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 1.0 109.268 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 mt -95.08 18.65 11.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 1.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -108.56 -46.99 3.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 1.0 110.394 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.528 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -37.78 -59.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 1.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.1 OUTLIER 90.33 -37.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 1.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -143.14 128.63 19.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 1.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 145.22 178.44 20.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.477 1.111 . . . . 1.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -88.94 20.81 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 0.788 . . . . 1.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 11.1 mtmt -137.38 46.11 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 1.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 t -136.75 148.14 47.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 1.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.3 tp -105.32 40.3 1.56 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 1.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -132.77 -36.29 1.06 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.853 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.401 ' O ' ' CD2' ' A' ' 66' ' ' TYR . 81.2 t80 -88.25 2.19 52.86 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 118.883 -0.58 . . . . 1.0 109.813 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.2 m -121.77 5.12 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 1.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.1 t -105.61 -49.42 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 1.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.68 ' O ' ' C ' ' A' ' 70' ' ' ALA . 29.2 m80 -92.71 -79.63 0.39 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.997 -1.001 . . . . 1.0 109.721 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.926 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 13.08 90.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 1.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.46 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -90.54 26.72 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 1.0 110.335 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.27 -170.35 19.81 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 1.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.54 108.53 7.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 0.727 . . . . 1.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.926 HD11 ' CB ' ' A' ' 70' ' ' ALA . 80.1 mt -116.64 155.57 28.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 1.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -39.98 -30.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 1.0 109.317 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.538 ' CD2' ' HB3' ' A' ' 35' ' ' HIS . 12.0 t60 -126.17 -141.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 1.0 109.649 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.407 ' H ' ' CG ' ' A' ' 76' ' ' HIS . 6.4 m -128.24 104.34 7.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 1.0 110.385 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.842 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -66.58 166.18 13.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 109.995 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.413 ' C ' ' N ' ' A' ' 81' ' ' ALA . 12.2 m -60.47 -67.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.0 108.272 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.68 -22.52 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 1.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.814 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -65.21 -70.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 1.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 85' ' ' LYS . 51.8 t -48.81 -61.54 1.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 1.0 108.334 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.423 ' ND1' ' HB3' ' A' ' 97' ' ' LEU . 11.9 m170 -38.85 -29.01 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.749 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.432 ' OG ' ' NE ' ' A' ' 71' ' ' ARG . 2.7 t -68.11 -51.9 41.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 1.0 110.032 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 82' ' ' CYS . 7.1 mmtt -63.35 -32.62 74.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 1.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.7 t -65.86 -55.17 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 1.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.45 HG21 HG21 ' A' ' 98' ' ' THR . 3.4 t -54.41 -28.54 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 1.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 1.0 109.27 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 98' ' ' THR . 3.2 m-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.297 -0.631 . . . . 1.0 109.297 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.496 ' C ' ' CG2' ' A' ' 98' ' ' THR . 1.9 mt 68.47 4.52 4.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 1.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.496 ' CG2' ' C ' ' A' ' 97' ' ' LEU . 5.6 p -153.15 23.11 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 1.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.21 131.45 10.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 1.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 72.6 m -68.98 -28.87 67.01 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.296 -1.002 . . . . 1.0 108.296 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -147.16 171.51 15.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 1.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 106' ' ' HIS . 0.1 OUTLIER 41.04 45.96 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 1.0 109.253 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.5 t -126.26 -164.4 1.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 1.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.96 6.36 42.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 1.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.426 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 0.6 OUTLIER -123.24 -54.15 1.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 1.0 108.25 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 102' ' ' LYS . 92.2 m-70 -110.53 77.67 1.33 Allowed Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 115.017 -0.992 . . . . 1.0 109.785 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 57.2 Cg_endo . . . . . 0 N--CA 1.447 -1.248 0 C-N-CA 124.35 3.366 . . . . 1.0 109.592 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.314 -0.624 . . . . 1.0 109.314 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 4' ' ' VAL . 9.5 p -59.72 113.06 6.27 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -48.01 127.78 15.42 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.308 3.338 . . . . 1.0 109.611 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -88.03 3.77 47.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 1.0 109.312 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -123.07 96.23 44.98 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 1.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -38.64 146.91 0.13 Allowed 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.336 3.357 . . . . 1.0 109.549 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.72 147.43 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 1.0 109.288 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.05 141.95 28.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 1.0 110.318 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.5 t -118.07 83.67 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 1.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -71.36 92.1 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 1.0 109.35 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.06 -146.44 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 1.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.417 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -54.24 -65.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 1.0 109.996 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -146.12 44.19 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 1.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.18 124.77 4.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 1.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.2 m -90.53 129.09 36.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 1.0 110.379 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.5 t -135.23 125.36 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 1.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.2 mtm -96.71 137.73 35.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 1.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.609 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 6.2 t80 -123.34 97.77 42.23 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 1.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.557 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 16.5 Cg_exo -66.88 138.96 50.16 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.306 3.338 . . . . 1.0 109.581 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -84.45 -23.91 29.75 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 124.135 0.897 . . . . 1.0 109.747 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.945 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -50.35 -55.62 24.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 1.0 109.267 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.945 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 25.7 Cg_exo -63.12 -7.11 11.01 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.311 3.341 . . . . 1.0 109.601 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.437 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 51.2 m80 -132.62 40.57 3.26 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 124.174 0.921 . . . . 1.0 109.741 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.25 5.2 44.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 1.0 110.315 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -118.29 -18.29 9.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 1.0 109.279 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 t -85.38 128.8 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 1.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.46 136.92 19.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 1.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' VAL . 6.8 m -54.21 -63.58 1.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 1.0 108.305 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 32' ' ' THR . 7.5 p -38.9 -55.39 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 1.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.515 ' N ' HG13 ' A' ' 31' ' ' VAL . 10.1 m -35.2 -35.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 1.0 110.366 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -105.45 -55.03 2.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.175 . . . . 1.0 108.286 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -81.82 76.42 8.72 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.74 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -51.78 159.13 0.86 Allowed 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.141 0.901 . . . . 1.0 109.755 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.01 151.2 23.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 1.0 109.302 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.607 HG12 ' OD1' ' A' ' 38' ' ' ASP . 77.2 t -116.12 110.76 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.607 ' OD1' HG12 ' A' ' 37' ' ' VAL . 0.7 OUTLIER 52.0 40.0 27.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 1.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.16 31.29 76.33 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 1.0 110.991 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.73 100.26 6.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 1.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -50.17 119.94 4.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 1.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.2 t -143.68 159.36 42.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 1.0 110.014 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -139.33 55.03 1.69 Allowed 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.821 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.2 147.75 24.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 1.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.53 149.98 9.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 1.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.6 m -51.19 -31.78 21.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 1.0 108.296 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -95.07 55.11 1.83 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.463 1.102 . . . . 1.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.6 t -107.68 168.16 9.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 1.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.7 m -48.38 126.54 11.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 1.0 109.972 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 54.96 55.25 28.88 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 1.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 14.4 m -145.48 -145.5 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.278 -1.008 . . . . 1.0 108.278 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -94.88 87.45 4.98 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.731 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -138.73 54.62 1.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 1.0 109.324 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -152.8 99.88 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 1.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.417 ' CD1' ' HA ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -92.81 17.73 10.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 1.0 109.339 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.5 -47.69 3.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 1.0 110.345 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -39.24 -61.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 1.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 90.48 -31.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 1.0 109.314 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -143.75 139.77 29.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.157 . . . . 1.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 123.4 178.83 15.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 1.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.07 15.86 3.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 1.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 7.0 mmtt -124.56 34.18 5.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 1.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.2 t -132.17 139.98 48.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 1.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.9 tp -98.91 36.75 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 1.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -130.3 -34.33 1.63 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.007 -0.997 . . . . 1.0 109.805 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -86.97 -2.77 58.87 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 118.917 -0.563 . . . . 1.0 109.834 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.3 m -118.13 3.18 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 1.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 t -102.78 -46.12 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 1.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.668 ' O ' ' C ' ' A' ' 70' ' ' ALA . 31.3 m80 -97.34 -81.32 0.43 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.042 -0.981 . . . . 1.0 109.792 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 1.008 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 15.7 90.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 1.0 109.317 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.72 26.08 4.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 1.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -107.87 -159.3 20.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.449 1.093 . . . . 1.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.75 105.6 12.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 0.736 . . . . 1.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.008 HD11 ' CB ' ' A' ' 70' ' ' ALA . 81.9 mt -116.23 171.22 7.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -56.55 -50.78 70.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 1.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -105.7 -139.34 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 1.0 109.546 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.2 m -127.61 104.67 8.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 1.0 110.373 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.862 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -66.83 166.98 12.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 1.0 110.027 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.402 ' C ' ' N ' ' A' ' 81' ' ' ALA . 11.2 m -61.36 -67.34 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 1.0 108.318 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -48.08 -23.39 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 1.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.78 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.24 -71.17 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 1.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 85' ' ' LYS . 54.1 t -49.9 -59.97 3.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 1.0 108.326 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.603 ' O ' HG23 ' A' ' 87' ' ' VAL . 12.4 m170 -40.36 -28.47 0.06 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.021 -0.991 . . . . 1.0 109.759 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 5.3 p -58.79 -45.14 90.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 1.0 110.02 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 82' ' ' CYS . 1.5 tppp? -73.5 -40.74 63.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 1.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.611 HG11 HD12 ' A' ' 97' ' ' LEU . 70.0 t -51.34 -42.62 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 1.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.615 HG21 HG21 ' A' ' 98' ' ' THR . 56.9 t -54.91 -27.44 18.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 1.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 1.0 109.287 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.303 -0.629 . . . . 1.0 109.303 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.611 HD12 HG11 ' A' ' 86' ' ' VAL . 10.7 mt -106.72 -9.64 16.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.615 HG21 HG21 ' A' ' 87' ' ' VAL . 8.3 p -138.53 38.13 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 1.0 110.442 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.27 127.7 9.2 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 1.0 111.049 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 73.6 m -69.48 -29.47 67.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -143.42 172.58 12.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 1.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.1 pttt 41.7 36.43 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 1.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 64.2 p -114.28 -170.46 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -89.75 5.66 45.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 1.0 109.238 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.411 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -118.77 -53.72 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 1.0 108.303 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -112.86 65.64 0.9 Allowed Pre-proline 0 CA--C 1.54 0.576 0 CA-C-N 114.987 -1.006 . . . . 1.0 109.752 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.411 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 51.9 Cg_endo . . . . . 0 N--CA 1.447 -1.234 0 C-N-CA 124.348 3.365 . . . . 1.0 109.558 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -46.02 123.55 6.54 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 1.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -71.35 129.35 15.79 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.321 3.347 . . . . 1.0 109.61 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -81.8 4.09 23.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 1.0 109.296 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.72 148.07 39.0 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 1.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -79.42 137.85 13.47 Favored 'Trans proline' 0 N--CA 1.448 -1.181 0 C-N-CA 124.286 3.324 . . . . 1.0 109.596 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -101.78 131.36 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 1.0 109.294 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.22 144.99 54.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 1.0 110.269 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -125.89 72.72 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 1.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -56.46 96.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 1.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.94 -151.16 2.58 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 1.0 111.049 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -62.29 1.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 1.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -146.47 46.34 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -163.41 130.02 3.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.2 m -93.84 127.6 39.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 110.381 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.3 t -136.16 125.81 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.36 135.0 43.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 1.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -114.89 122.95 32.72 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 1.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.733 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 35.3 Cg_endo -87.54 138.53 4.58 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.3 3.333 . . . . 1.0 109.552 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -87.84 -33.91 18.41 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 124.17 0.919 . . . . 1.0 109.761 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.935 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.17 -55.11 16.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 1.0 109.269 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.935 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 31.9 Cg_exo -64.1 -5.33 9.19 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.282 3.322 . . . . 1.0 109.583 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -133.85 39.15 3.17 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.148 0.905 . . . . 1.0 109.763 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.71 6.76 44.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 1.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.48 -21.29 10.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 1.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.463 HG12 ' HB ' ' A' ' 32' ' ' THR . 24.2 t -85.87 124.01 39.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -46.29 134.93 8.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 1.0 110.294 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.3 m -48.05 -61.58 1.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 1.0 108.281 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 33' ' ' CYS . 62.4 t -40.38 -51.98 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 1.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.463 ' HB ' HG12 ' A' ' 28' ' ' VAL . 2.3 m -37.0 -32.54 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 1.0 110.429 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -110.6 -53.69 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 1.0 108.275 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -83.97 73.02 10.4 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.027 -0.988 . . . . 1.0 109.787 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -47.66 160.34 0.12 Allowed 'General case' 0 CA--C 1.54 0.57 0 O-C-N 124.205 0.94 . . . . 1.0 109.746 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.18 155.82 22.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 1.0 109.309 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.4 t -118.4 112.49 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 1.0 109.333 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 t0 56.86 41.77 27.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 1.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.95 33.37 73.61 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.529 1.143 . . . . 1.0 111.031 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.25 126.95 27.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 1.0 109.333 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -43.23 143.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.097 . . . . 1.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.59 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -149.65 153.83 37.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 1.0 110.001 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.59 ' CD1' ' O ' ' A' ' 42' ' ' SER . 79.2 m-85 -159.47 47.93 0.3 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.99 -1.005 . . . . 1.0 109.873 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.441 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -100.65 147.42 26.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -42.65 152.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 1.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.83 -36.84 39.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 1.0 108.265 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -108.13 62.8 0.29 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.552 1.158 . . . . 1.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.441 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 28.2 t -98.28 167.1 11.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 1.0 110.025 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.7 p -49.3 129.36 18.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 1.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.79 48.88 82.94 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.163 . . . . 1.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.1 m -144.48 -145.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.256 -1.016 . . . . 1.0 108.256 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -89.93 76.43 7.08 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.983 -1.008 . . . . 1.0 109.78 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -127.43 57.18 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 1.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -161.54 92.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 1.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.418 HD11 ' HB3' ' A' ' 64' ' ' LEU . 9.6 mp -92.23 15.1 14.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 1.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -75.64 -17.03 60.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 1.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.08 162.24 13.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 1.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.503 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 0.2 OUTLIER -102.79 -7.64 21.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 1.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.39 134.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 1.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 151.81 157.54 7.97 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 1.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -59.59 -14.82 14.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 0.764 . . . . 1.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.53 39.62 1.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 1.0 109.252 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -135.85 140.82 44.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 1.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.418 ' HB3' HD11 ' A' ' 55' ' ' LEU . 43.8 tp -100.44 37.55 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 1.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.503 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 3.7 t80 -130.13 -33.98 1.7 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.831 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -87.77 -1.63 58.09 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 118.919 -0.562 . . . . 1.0 109.829 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.3 m -120.04 5.69 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 1.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -107.09 -43.22 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.684 ' O ' ' C ' ' A' ' 70' ' ' ALA . 40.8 m80 -98.39 -82.26 0.43 Allowed 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.005 -0.998 . . . . 1.0 109.747 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.95 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 12.68 89.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 1.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.59 21.95 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 1.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.24 -171.53 26.05 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.473 1.108 . . . . 1.0 111.029 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -75.38 103.34 5.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 0.721 . . . . 1.0 110.255 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.95 HD11 ' CB ' ' A' ' 70' ' ' ALA . 73.9 mt -109.83 160.8 16.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.81 -29.99 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 1.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -124.89 -144.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 1.0 109.589 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 22.6 m -126.09 103.97 8.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 1.0 110.351 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.859 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -68.18 166.33 16.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 1.0 110.031 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.415 ' C ' ' N ' ' A' ' 81' ' ' ALA . 7.8 m -61.42 -66.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.0 108.309 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.9 OUTLIER -48.27 -22.37 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 1.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.805 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.64 -70.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 1.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 84' ' ' SER . 50.7 t -50.74 -63.72 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 1.0 108.281 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -36.06 -31.43 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.975 -1.011 . . . . 1.0 109.734 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 5.1 t -55.99 -51.52 67.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 1.0 110.013 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' CYS . 1.0 OUTLIER -65.74 -36.68 84.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 1.0 109.325 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.482 ' CG1' HD12 ' A' ' 97' ' ' LEU . 87.1 t -58.95 -45.84 91.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 1.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.737 HG21 HG21 ' A' ' 98' ' ' THR . 8.7 t -54.7 -27.71 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 1.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 109.261 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.495 ' C ' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.277 -0.638 . . . . 1.0 109.277 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.495 HD23 ' C ' ' A' ' 96' ' ' ASP . 3.7 mt -100.44 -20.12 15.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 1.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.737 HG21 HG21 ' A' ' 87' ' ' VAL . 3.2 p -134.92 39.29 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 1.0 110.392 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -98.7 128.48 9.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 1.0 111.029 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 79.0 m -72.67 -30.81 64.58 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.32 -0.993 . . . . 1.0 108.32 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.423 ' C ' ' N ' ' A' ' 103' ' ' SER . . . -142.73 173.5 11.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 1.0 109.341 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.3 mttm 43.8 27.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 1.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 101' ' ' ALA . 43.5 p -106.56 -173.31 2.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 1.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.74 -7.23 58.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.093 . . . . 1.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.414 ' C ' ' CD ' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -104.51 -47.05 4.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 1.0 108.328 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.475 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 86.5 m-70 -119.92 55.77 3.76 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 115.007 -0.997 . . . . 1.0 109.748 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 106' ' ' HIS . 37.2 Cg_endo . . . . . 0 N--CA 1.447 -1.225 0 C-N-CA 124.333 3.355 . . . . 1.0 109.592 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.323 -0.621 . . . . 1.0 109.323 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.37 121.68 65.16 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 1.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -76.52 125.17 8.13 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.288 3.325 . . . . 1.0 109.569 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 3.8 p-10 -85.06 8.14 19.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 1.0 109.312 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -114.52 91.0 23.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.539 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 10.6 Cg_exo -39.95 147.27 0.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.334 3.356 . . . . 1.0 109.595 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.27 147.09 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 1.0 109.329 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.37 140.02 29.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 1.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.3 t -118.88 84.52 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 1.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt -89.54 94.4 9.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.422 ' C ' HD13 ' A' ' 55' ' ' LEU . . . -75.86 -131.38 0.35 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.455 1.097 . . . . 1.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.638 ' CB ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -57.96 -73.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 1.0 110.027 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.401 ' N ' ' OG ' ' A' ' 14' ' ' SER . 4.1 tt0 -145.81 46.69 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 1.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HD2' ' ND1' ' A' ' 106' ' ' HIS . 2.3 mmtt -153.25 103.95 2.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 1.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.7 m -78.38 134.19 37.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.0 110.394 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.2 t -145.41 126.9 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 1.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.34 134.26 47.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 1.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -115.28 123.73 31.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.787 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 33.5 Cg_endo -87.63 139.3 4.79 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.346 3.364 . . . . 1.0 109.619 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -87.34 -33.77 19.07 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.102 0.876 . . . . 1.0 109.774 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.92 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.76 -54.79 20.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 1.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.92 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 37.8 Cg_exo -64.09 -5.54 9.6 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.29 3.327 . . . . 1.0 109.601 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -134.6 39.65 3.01 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 124.147 0.904 . . . . 1.0 109.805 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 18.7 tt0 -100.2 4.85 44.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 1.0 110.317 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -113.69 -21.11 10.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 1.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.7 t -84.55 124.92 40.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 1.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -46.49 133.62 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 1.0 110.275 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 31' ' ' VAL . 8.4 m -48.78 -61.91 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 1.0 108.288 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 32' ' ' THR . 5.3 p -40.14 -51.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.441 ' N ' HG13 ' A' ' 31' ' ' VAL . 2.4 m -37.45 -35.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 1.0 110.42 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -107.05 -52.33 2.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 1.0 108.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -84.78 72.78 10.7 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.008 -0.996 . . . . 1.0 109.764 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -48.87 160.23 0.2 Allowed 'General case' 0 CA--C 1.54 0.568 0 O-C-N 124.207 0.942 . . . . 1.0 109.77 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.67 152.33 22.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 1.0 109.308 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.4 t -120.65 112.65 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 1.0 109.328 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t0 55.46 41.4 30.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 1.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.3 39.69 65.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 1.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.77 105.95 6.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 1.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -46.77 124.41 6.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 1.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.584 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -141.37 165.5 27.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 1.0 110.015 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 42' ' ' SER . 54.4 m-85 -154.38 55.72 0.7 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.997 -1.001 . . . . 1.0 109.859 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.62 147.96 23.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 1.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -45.04 153.01 0.21 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 1.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -41.86 61.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 1.0 108.284 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.39 58.02 1.16 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 1.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.9 t -92.23 166.84 12.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 0.794 . . . . 1.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.91 135.62 55.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 1.0 110.034 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.01 39.14 89.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 1.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.8 m -135.86 -143.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.364 -0.976 . . . . 1.0 108.364 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -89.77 76.94 7.14 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.038 -0.983 . . . . 1.0 109.757 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -129.3 52.17 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 1.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -152.92 92.29 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 1.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.638 HD22 ' CB ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -93.56 16.8 12.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 1.0 109.255 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 m -82.07 -15.49 53.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 1.0 110.433 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.41 169.02 8.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -109.29 -13.35 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 58' ' ' LYS . 10.1 mttp -162.87 135.79 5.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 1.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 145.69 157.64 7.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.444 1.09 . . . . 1.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -58.45 -18.46 28.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 1.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 1.3 mtpt -101.5 37.07 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -136.61 134.61 37.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 110.019 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.0 tp -96.44 35.91 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 1.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -128.27 -33.31 2.16 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.845 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -88.08 -1.48 58.03 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 118.874 -0.584 . . . . 1.0 109.794 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 m -120.64 4.97 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 1.0 109.291 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -104.03 -48.37 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 1.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.672 ' O ' ' C ' ' A' ' 70' ' ' ALA . 28.8 m80 -95.73 -78.62 0.45 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.987 -1.006 . . . . 1.0 109.77 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 1.068 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 14.66 90.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 109.307 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.481 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -96.54 26.56 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 1.0 110.282 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.02 -152.3 16.76 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.488 1.117 . . . . 1.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -88.99 104.95 17.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 0.752 . . . . 1.0 110.331 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.068 HD11 ' CB ' ' A' ' 70' ' ' ALA . 73.0 mt -114.81 176.54 5.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 1.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -50.44 73.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 1.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -106.99 -140.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 1.0 109.599 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.8 m -126.07 104.56 8.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 1.0 110.394 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.839 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -66.08 167.01 10.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 1.0 110.041 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.403 ' C ' ' N ' ' A' ' 81' ' ' ALA . 13.2 m -61.51 -67.09 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 1.0 108.286 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -48.38 -22.45 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 1.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -65.51 -72.0 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 1.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 48.1 t -47.77 -57.44 5.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 1.0 108.323 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 1.013 ' O ' HG23 ' A' ' 87' ' ' VAL . 12.7 m170 -42.63 -37.21 1.63 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.021 -0.99 . . . . 1.0 109.724 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.415 ' OG ' ' NE ' ' A' ' 71' ' ' ARG . 8.6 t -64.28 -47.03 81.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 1.0 109.953 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 10.3 mmtt -66.14 -42.09 89.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 1.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.3 t -55.7 -37.36 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 1.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 1.013 HG23 ' O ' ' A' ' 83' ' ' HIS . 57.3 t -55.53 -26.34 19.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 1.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.7 mt -95.4 -17.31 21.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 1.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.3 p -136.42 37.74 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 1.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.31 128.6 9.62 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.508 1.13 . . . . 1.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 84.5 m -69.32 -27.94 65.81 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -146.66 172.18 13.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 1.0 109.252 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 mttt 42.29 43.18 2.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 1.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.3 p -123.32 -162.08 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 1.0 110.028 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -96.07 10.64 36.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 1.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.433 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.7 OUTLIER -124.93 -53.11 1.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 108.277 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.402 ' ND1' ' HD2' ' A' ' 16' ' ' LYS . 92.9 m-70 -112.15 66.51 0.79 Allowed Pre-proline 0 CA--C 1.54 0.561 0 CA-C-N 115.03 -0.987 . . . . 1.0 109.78 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.433 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 73.7 Cg_endo . . . . . 0 N--CA 1.447 -1.223 0 C-N-CA 124.325 3.35 . . . . 1.0 109.552 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.67 121.96 64.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 1.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -75.51 125.5 9.03 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.316 3.344 . . . . 1.0 109.59 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.407 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 4.3 p-10 -86.46 9.05 19.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 1.0 109.314 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 pttp -116.16 88.49 22.64 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 1.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.556 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 13.1 Cg_exo -41.68 147.8 0.37 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.335 3.357 . . . . 1.0 109.558 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.42 148.82 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 109.284 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.83 144.76 27.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 1.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.2 t -122.06 86.07 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 1.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -87.24 89.41 7.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 1.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.81 -134.91 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 1.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.43 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -61.27 -68.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.794 . . . . 1.0 110.023 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -149.51 48.43 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 1.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.558 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 1.3 tptm -156.2 95.97 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 1.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.3 m -73.49 134.1 43.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 1.0 110.442 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.6 t -150.18 127.49 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 1.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -101.01 139.95 35.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 1.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -117.45 123.01 30.28 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 1.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.761 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 32.7 Cg_endo -88.17 139.57 4.44 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.318 3.345 . . . . 1.0 109.563 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -87.82 -33.77 18.49 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 124.106 0.879 . . . . 1.0 109.756 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.916 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.86 -54.88 20.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 1.0 109.267 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.916 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 36.5 Cg_exo -63.79 -6.09 10.17 Favored 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 124.303 3.335 . . . . 1.0 109.574 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -133.55 40.4 3.14 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 124.156 0.91 . . . . 1.0 109.817 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.7 9.01 41.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 1.0 110.346 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.62 -3.05 8.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 1.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.0 t -101.98 122.6 54.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 1.0 109.286 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.31 129.6 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 1.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.9 m -47.15 -60.58 2.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 1.0 108.244 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 32' ' ' THR . 7.3 p -40.34 -52.04 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 1.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.46 ' N ' HG13 ' A' ' 31' ' ' VAL . 3.3 m -37.1 -32.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 1.0 110.424 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -110.81 -52.47 2.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 1.0 108.29 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -85.15 73.47 10.62 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.786 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -49.56 160.61 0.26 Allowed 'General case' 0 CA--C 1.54 0.567 0 O-C-N 124.1 0.875 . . . . 1.0 109.723 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.02 148.75 26.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 1.0 109.232 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.7 t -116.36 112.81 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 1.0 109.332 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 52.5 40.67 30.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 1.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.61 38.54 82.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 1.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.05 103.04 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 1.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -44.27 122.87 3.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 1.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.4 t -142.4 159.22 42.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 1.0 110.004 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -142.63 56.55 1.43 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.841 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.644 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -95.47 147.28 23.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 1.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.71 155.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 1.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.501 ' HB3' HD13 ' A' ' 64' ' ' LEU . 1.1 m -50.48 -33.6 21.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 1.0 108.306 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.72 65.05 0.28 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.106 . . . . 1.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.644 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 26.7 t -99.23 168.46 10.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 1.0 110.039 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.6 m -46.36 116.72 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.0 109.964 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.65 58.05 10.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 1.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.1 m -149.58 -144.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.302 -0.999 . . . . 1.0 108.302 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -89.06 82.45 6.64 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.021 -0.99 . . . . 1.0 109.778 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -135.57 50.35 2.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 1.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -151.67 93.23 1.84 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 1.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.43 HD13 ' N ' ' A' ' 14' ' ' SER . 3.1 mt -94.47 18.12 11.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 1.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.76 -7.68 23.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 1.0 110.446 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.546 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -86.33 -53.03 5.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 1.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.546 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 2.8 tppt? 90.63 -34.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 1.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.14 129.44 16.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 1.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 142.03 -178.88 20.41 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.459 1.099 . . . . 1.0 111.033 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -85.51 15.29 4.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 1.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 6.2 mmtt -129.84 36.13 4.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 1.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -134.89 141.25 46.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 110.047 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.501 HD13 ' HB3' ' A' ' 46' ' ' CYS . 44.0 tp -99.38 36.26 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 1.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -129.07 -33.5 1.97 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.981 -1.009 . . . . 1.0 109.882 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -87.29 -2.05 58.35 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 118.887 -0.578 . . . . 1.0 109.86 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.7 m -119.91 5.07 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 1.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 t -106.74 -41.63 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 1.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.683 ' O ' ' C ' ' A' ' 70' ' ' ALA . 37.3 m80 -100.27 -82.77 0.45 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.007 -0.997 . . . . 1.0 109.731 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.939 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 13.23 89.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 1.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.75 23.85 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 1.0 110.321 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -105.17 -170.7 24.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.11 . . . . 1.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -75.41 101.57 4.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 0.745 . . . . 1.0 110.286 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.939 HD11 ' CB ' ' A' ' 70' ' ' ALA . 82.0 mt -107.35 167.88 9.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 1.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -28.84 37.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 1.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -126.49 -143.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 1.0 109.623 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.8 m -125.84 104.89 8.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 1.0 110.42 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.869 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -69.68 167.0 17.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 1.0 110.012 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.403 ' C ' ' N ' ' A' ' 81' ' ' ALA . 11.3 m -61.94 -66.2 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 1.0 108.262 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -48.0 -23.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -63.86 -70.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 1.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 85' ' ' LYS . 51.4 t -50.8 -61.47 2.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 1.0 108.287 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.401 ' ND1' ' HB3' ' A' ' 97' ' ' LEU . 12.5 m170 -38.93 -29.13 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.972 -1.013 . . . . 1.0 109.768 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 3.2 t -59.09 -50.23 74.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 1.0 110.041 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 82' ' ' CYS . 1.3 mttt -67.99 -35.65 78.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 1.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.576 HG11 HD12 ' A' ' 97' ' ' LEU . 77.1 t -58.21 -48.44 84.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 1.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.746 HG21 HG21 ' A' ' 98' ' ' THR . 18.9 t -54.45 -31.23 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 1.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.316 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.268 -0.641 . . . . 1.0 109.268 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.576 HD12 HG11 ' A' ' 86' ' ' VAL . 18.3 mt -109.92 2.97 20.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 1.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.746 HG21 HG21 ' A' ' 87' ' ' VAL . 7.0 p -147.83 39.1 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 1.0 110.364 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -105.54 130.03 10.04 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.482 1.114 . . . . 1.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.6 m -70.4 -30.96 67.98 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.342 -0.985 . . . . 1.0 108.342 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.26 171.26 14.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 1.0 109.254 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.0 mttt 40.65 46.93 2.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 1.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.73 -169.07 1.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 1.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.01 12.27 11.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 1.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.435 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.5 OUTLIER -128.26 -55.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 1.0 108.259 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.558 ' CE1' ' HG2' ' A' ' 16' ' ' LYS . 89.7 m-70 -110.25 76.47 1.06 Allowed Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.785 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.435 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 58.7 Cg_endo . . . . . 0 N--CA 1.447 -1.237 0 C-N-CA 124.334 3.356 . . . . 1.0 109.574 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.277 -0.638 . . . . 1.0 109.277 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 4' ' ' VAL . 9.9 p -58.04 117.95 23.27 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -41.98 130.78 4.38 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.355 3.37 . . . . 1.0 109.589 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -72.63 -12.43 61.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 1.0 109.27 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.22 155.84 70.67 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 1.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -75.58 172.17 16.83 Favored 'Trans proline' 0 N--CA 1.446 -1.287 0 C-N-CA 124.295 3.33 . . . . 1.0 109.64 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 m -131.33 144.22 38.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 1.0 109.351 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.71 142.81 27.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 1.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.6 t -116.91 68.75 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.75 92.5 4.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 1.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.99 -130.39 0.66 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 1.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -59.23 -74.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 1.0 109.983 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.427 ' N ' ' OG ' ' A' ' 14' ' ' SER . 2.8 tt0 -145.57 45.96 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 1.0 110.282 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.453 ' HE2' ' CE1' ' A' ' 106' ' ' HIS . 1.4 mttt -149.62 97.16 2.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 1.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m -74.78 131.87 41.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 1.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.6 t -148.42 126.73 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 1.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 32.6 mtt -103.27 133.79 47.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 1.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.422 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 28.3 t80 -114.78 121.29 35.85 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.711 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 41.8 Cg_endo -86.61 138.24 5.23 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.322 3.348 . . . . 1.0 109.556 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -88.4 -33.1 18.02 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 124.149 0.906 . . . . 1.0 109.736 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.917 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.53 -54.77 20.02 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 1.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.917 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 27.7 Cg_exo -64.37 -5.51 9.98 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.294 3.329 . . . . 1.0 109.596 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.422 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 70.2 m80 -131.99 37.94 3.56 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 124.105 0.878 . . . . 1.0 109.759 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 11.2 tt0 -99.19 6.01 46.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 1.0 110.284 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.82 -4.24 11.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 1.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.9 t -104.28 123.74 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 1.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.37 142.87 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 1.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' CYS . 7.0 m -60.49 -66.01 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 1.0 108.279 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 33' ' ' CYS . 2.7 t -37.67 -57.78 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' VAL . 23.5 m -34.94 -34.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 1.0 110.39 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.481 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -105.24 -45.97 4.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 108.331 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -92.63 69.83 4.85 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.954 -1.021 . . . . 1.0 109.804 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -42.05 159.48 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.572 0 O-C-N 124.111 0.882 . . . . 1.0 109.77 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.79 152.45 23.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 1.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 70.7 t -123.42 112.54 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 1.0 109.307 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 51.8 39.71 26.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.69 28.81 66.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.145 . . . . 1.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -129.67 93.8 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 1.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.78 123.26 3.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 1.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.8 t -135.41 157.47 46.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 1.0 110.04 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -139.58 55.05 1.67 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.822 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 45' ' ' LYS . . . -95.67 149.4 21.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' ALA . 16.6 mttt -40.49 147.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 1.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -27.9 6.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 1.0 108.262 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.99 66.6 0.32 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 1.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.0 t -99.82 166.62 11.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 0.732 . . . . 1.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.17 117.99 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 1.0 110.02 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.75 50.11 20.78 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.492 1.12 . . . . 1.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.4 m -147.59 -140.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.299 -1.0 . . . . 1.0 108.299 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 61' ' ' GLU . 19.1 m-70 -96.48 78.15 2.99 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.975 -1.011 . . . . 1.0 109.741 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -134.6 47.64 2.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 1.0 109.307 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.47 99.77 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 1.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 mp -97.5 19.25 13.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 1.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.6 -5.51 42.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.524 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -90.59 -47.52 7.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 1.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 91.17 -27.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 1.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -155.23 135.89 13.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 1.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.64 161.88 9.87 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 1.0 111.051 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.449 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 0.7 OUTLIER -61.59 -13.58 23.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 1.0 110.298 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -99.16 31.49 3.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 1.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 t -135.5 145.79 47.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 1.0 110.013 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.3 tp -109.3 42.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 1.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -133.5 -34.96 1.02 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.027 -0.988 . . . . 1.0 109.828 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -88.38 -1.28 57.95 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 118.872 -0.585 . . . . 1.0 109.819 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.7 m -119.01 2.05 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 1.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.1 t -100.29 -48.13 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.681 ' O ' ' C ' ' A' ' 70' ' ' ALA . 23.9 m80 -95.7 -78.77 0.45 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.939 -1.028 . . . . 1.0 109.777 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.979 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 12.3 88.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 1.0 109.275 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.86 22.43 3.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 1.0 110.337 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.05 -164.0 24.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 1.0 110.979 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -79.74 105.91 11.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 1.0 110.269 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.979 HD11 ' CB ' ' A' ' 70' ' ' ALA . 82.7 mt -113.45 164.06 14.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 1.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -50.19 -34.87 24.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -120.74 -143.76 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 1.0 109.548 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.4 m -125.06 104.9 8.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 1.0 110.415 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.862 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.99 165.55 17.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 1.0 110.033 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.41 ' C ' ' N ' ' A' ' 81' ' ' ALA . 9.6 m -61.2 -66.88 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 1.0 108.312 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.67 -22.63 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 1.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.807 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -65.04 -70.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 1.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 85' ' ' LYS . 50.7 t -50.06 -60.79 2.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 1.0 108.299 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.536 ' O ' HG23 ' A' ' 87' ' ' VAL . 13.0 m170 -39.13 -33.51 0.13 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.031 -0.986 . . . . 1.0 109.775 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 0.6 OUTLIER -56.47 -46.94 80.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 1.0 109.975 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 82' ' ' CYS . 0.1 OUTLIER -69.59 -40.18 76.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 1.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.621 HG11 ' CD1' ' A' ' 97' ' ' LEU . 84.2 t -55.03 -42.14 62.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 1.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 83' ' ' HIS . 49.3 t -54.73 -27.74 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 1.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 1.0 109.294 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.796 ' C ' HD23 ' A' ' 97' ' ' LEU . 22.9 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.286 -0.635 . . . . 1.0 109.286 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.796 HD23 ' C ' ' A' ' 96' ' ' ASP . 3.3 mt -111.49 -31.99 6.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 1.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.2 p -113.82 -146.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 1.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 68.43 132.38 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.501 1.125 . . . . 1.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 65.9 m -77.37 -28.79 52.99 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.304 -0.999 . . . . 1.0 108.304 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.59 167.6 19.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 1.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 55.45 48.46 18.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 1.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.3 m -136.6 178.59 6.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 1.0 109.962 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.56 -3.54 59.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 1.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.3 m -101.95 -40.9 6.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 1.0 108.301 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.453 ' CE1' ' HE2' ' A' ' 16' ' ' LYS . 80.6 m-70 -131.68 74.53 77.71 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.021 -0.991 . . . . 1.0 109.781 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo . . . . . 0 N--CA 1.447 -1.211 0 C-N-CA 124.339 3.359 . . . . 1.0 109.592 179.869 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.688 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 122.052 0.93 . . . . 1.0 109.292 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.688 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 27.0 Cg_endo -57.17 158.36 18.33 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.299 3.333 . . . . 1.0 109.615 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.69 120.55 17.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 1.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.6 p -58.06 123.71 66.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 1.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -71.59 124.92 10.7 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.255 3.303 . . . . 1.0 109.615 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -77.15 -1.26 28.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 1.0 109.31 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.89 148.05 36.64 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -79.02 142.84 17.56 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.371 3.38 . . . . 1.0 109.563 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -108.11 133.47 52.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 1.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -71.78 139.08 48.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 1.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.617 HG13 ' O2D' ' A' ' 233' ' ' HEM . 25.2 t -119.15 69.67 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 1.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -53.09 89.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 1.0 109.361 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 11' ' ' VAL . . . -66.06 -124.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.458 1.099 . . . . 1.0 110.95 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.08 -63.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 0.777 . . . . 1.0 109.994 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -127.91 -58.98 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 1.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.55 146.47 54.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 1.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.3 m -102.5 134.29 46.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 1.0 110.394 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.1 128.98 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 1.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.7 ptt? -110.09 131.54 54.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 1.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.748 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 19.5 t80 -107.95 125.44 32.1 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 1.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.756 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 31.9 Cg_endo -88.85 139.38 3.81 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.276 3.317 . . . . 1.0 109.593 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -87.65 -33.45 18.8 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.118 0.886 . . . . 1.0 109.752 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.916 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.89 -54.92 20.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.916 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 26.5 Cg_exo -65.15 -5.19 10.52 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.35 3.367 . . . . 1.0 109.594 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.499 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 69.3 m80 -134.21 40.97 3.0 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.145 0.903 . . . . 1.0 109.749 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.78 9.75 38.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 1.0 110.293 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.08 -4.13 9.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 1.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.1 t -103.2 124.48 57.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 1.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.416 ' OE1' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -46.18 136.01 7.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 1.0 110.314 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' CYS . 5.2 m -51.21 -59.74 3.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 1.0 108.337 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.416 HG12 ' OE1' ' A' ' 29' ' ' GLU . 3.6 p -38.66 -49.6 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' VAL . 3.3 m -37.77 -42.68 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 1.0 110.366 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.597 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 1.3 m -101.78 -54.56 2.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 1.0 108.275 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.2 m-70 -82.52 69.93 9.38 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.758 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -47.5 160.8 0.1 Allowed 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.166 0.916 . . . . 1.0 109.78 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.65 155.56 24.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 1.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.9 t -124.33 112.47 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 1.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 t0 54.15 40.18 31.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 1.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.16 32.54 63.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 1.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -130.98 102.82 6.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.773 . . . . 1.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -43.86 128.74 5.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 1.0 110.311 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.473 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 41.3 t -148.48 156.61 42.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 1.0 110.007 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 42' ' ' SER . 25.9 m-85 -143.43 54.47 1.34 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.038 -0.983 . . . . 1.0 109.843 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.567 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -92.11 147.14 23.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 1.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' O ' HMC3 ' A' ' 251' ' ' HEM . 0.2 OUTLIER -40.26 147.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 1.0 109.333 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.463 ' HB2' ' CGD' ' A' ' 233' ' ' HEM . 0.1 OUTLIER -46.74 -33.62 4.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 1.0 108.293 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.07 63.09 0.29 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 1.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.567 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 27.0 t -97.94 167.65 10.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 1.0 109.975 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.402 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 46.0 t -42.26 126.67 3.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 1.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 55.45 52.53 47.2 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 1.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.469 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 15.9 m -141.91 -144.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.281 -1.007 . . . . 1.0 108.281 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -97.23 81.81 3.08 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.966 -1.015 . . . . 1.0 109.746 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -134.54 51.27 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 1.0 109.263 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.81 100.55 1.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 1.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.34 21.39 12.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 1.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.422 ' O ' ' CG2' ' A' ' 56' ' ' THR . 0.9 OUTLIER -101.44 -1.92 32.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 110.364 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -91.91 -49.1 6.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 1.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 90.05 -38.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 1.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.45 121.74 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 1.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 147.72 156.72 7.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.529 1.143 . . . . 1.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.36 -17.5 12.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 1.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.64 33.02 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 1.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -130.84 140.2 50.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 1.0 110.001 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.498 ' O ' ' CGD' ' A' ' 305' ' ' HEM . 45.4 tp -103.63 39.76 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 1.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -131.39 -34.15 1.42 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.959 -1.018 . . . . 1.0 109.816 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -86.91 -3.88 59.12 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 118.937 -0.554 . . . . 1.0 109.841 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.1 m -117.5 2.86 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 1.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.886 HG21 ' O1D' ' A' ' 305' ' ' HEM . 2.5 t -102.09 -46.69 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 1.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.687 ' O ' ' C ' ' A' ' 70' ' ' ALA . 38.0 m80 -95.55 -80.08 0.43 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.719 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 1.022 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 11.74 91.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.421 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -92.15 20.52 5.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 1.0 110.351 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.0 -163.65 29.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.444 1.09 . . . . 1.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -84.13 98.33 9.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.753 . . . . 1.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.022 HD11 ' CB ' ' A' ' 70' ' ' ALA . 52.3 mt -105.36 172.85 6.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 1.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.49 -51.01 58.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -106.76 -139.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 1.0 109.601 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.0 m -127.0 104.27 7.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 1.0 110.371 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.855 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -65.72 166.44 10.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 1.0 110.018 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 81' ' ' ALA . 11.5 m -61.59 -66.47 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.0 108.312 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.3 mm? -48.67 -21.72 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 1.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.796 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -65.82 -70.38 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 1.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.514 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 53.9 t -49.72 -61.3 2.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 1.0 108.282 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.414 ' ND1' ' HB3' ' A' ' 97' ' ' LEU . 13.1 m170 -39.1 -30.46 0.05 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.759 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 3.3 t -60.53 -49.01 79.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 1.0 109.994 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.629 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -67.55 -35.82 79.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 1.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 69.9 t -57.72 -48.2 84.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 1.0 109.333 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.93 -19.71 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 1.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -81.36 5.3 17.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 1.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.408 ' C ' ' HD3' ' A' ' 91' ' ' PRO . 0.7 OUTLIER -115.73 -40.62 3.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 1.0 110.267 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 93' ' ' LEU . 1.8 tttp -127.67 69.19 75.63 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 1.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.408 ' HD3' ' C ' ' A' ' 89' ' ' GLU . 77.9 Cg_exo -44.97 -23.54 0.98 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.318 3.346 . . . . 1.0 109.659 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -86.72 21.48 2.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 1.0 110.311 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 90' ' ' LYS . 66.4 mt -135.13 16.17 3.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 1.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.436 ' O ' ' CB ' ' A' ' 95' ' ' LYS . 8.2 tttp -67.24 73.87 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 1.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 99' ' ' GLY . 3.4 mtmt 168.57 -64.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 1.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.461 ' C ' HD23 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -39.9 -29.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 109.313 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.461 HD23 ' C ' ' A' ' 96' ' ' ASP . 13.0 mt -110.92 -25.6 9.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.183 . . . . 1.0 109.248 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 95' ' ' LYS . 3.1 p -128.55 57.41 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 1.0 110.396 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -123.03 128.71 7.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.552 1.158 . . . . 1.0 111.005 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 106' ' ' HIS . 80.2 m -70.29 -29.86 66.71 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.316 -0.994 . . . . 1.0 108.316 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.72 172.7 12.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 1.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.02 49.0 9.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 1.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.58 -171.69 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.0 110.039 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -87.26 1.57 52.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 1.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.406 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -114.06 -50.6 2.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 1.0 108.284 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.402 ' CB ' ' O ' ' A' ' 100' ' ' CYS . 89.7 m-70 -118.71 83.33 22.02 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-N 114.981 -1.009 . . . . 1.0 109.752 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 29.0 Cg_exo . . . . . 0 N--CA 1.447 -1.226 0 C-N-CA 124.292 3.328 . . . . 1.0 109.619 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.748 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.469 ' C2C' ' HB3' ' A' ' 51' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.558 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.886 ' O1D' HG21 ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.495 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 122.094 0.95 . . . . 1.0 109.307 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.702 ' HG2' HMB1 ' A' ' 233' ' ' HEM . 7.9 Cg_endo -47.97 155.66 1.68 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.326 3.351 . . . . 1.0 109.571 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.9 121.02 17.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 1.0 109.318 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.13 123.05 84.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 1.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -72.07 129.81 15.69 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.313 3.342 . . . . 1.0 109.623 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -84.44 7.57 19.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 1.0 109.284 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.34 148.77 41.55 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 1.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -78.4 135.43 13.32 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.32 3.347 . . . . 1.0 109.65 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.3 m -107.72 131.52 57.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 1.0 109.257 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -71.46 143.2 50.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 1.0 110.335 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.969 HG13 ' O2D' ' A' ' 233' ' ' HEM . 26.4 t -121.18 68.31 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 1.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -40.41 129.4 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 1.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -118.89 -154.66 9.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 1.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.543 ' HA ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -55.71 -71.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.78 . . . . 1.0 109.984 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.408 ' N ' ' OG ' ' A' ' 14' ' ' SER . 5.9 tt0 -141.93 43.4 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 1.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.88 127.08 2.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 1.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.7 m -89.91 130.8 36.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 1.0 110.407 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.6 t -133.34 126.43 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 1.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -105.64 133.67 50.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 1.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.751 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 19.1 t80 -111.03 124.88 31.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 1.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.736 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 33.5 Cg_endo -87.61 138.48 4.51 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.301 3.334 . . . . 1.0 109.6 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -87.5 -33.43 18.99 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 124.129 0.893 . . . . 1.0 109.726 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.913 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.81 -54.95 19.55 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 1.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.913 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 26.5 Cg_exo -65.12 -5.46 11.04 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.27 3.313 . . . . 1.0 109.647 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.486 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 70.7 m80 -134.0 39.29 3.14 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 124.183 0.927 . . . . 1.0 109.783 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.75 6.36 45.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.0 110.297 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.41 -20.56 10.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 1.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.454 HG12 ' HB ' ' A' ' 32' ' ' THR . 21.6 t -86.32 128.06 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.03 137.05 17.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 1.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.7 m -49.45 -61.43 2.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 1.0 108.336 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' CYS . 3.5 p -40.71 -50.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 1.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.454 ' HB ' HG12 ' A' ' 28' ' ' VAL . 2.5 m -38.05 -30.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 1.0 110.427 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.602 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.8 OUTLIER -112.88 -53.53 2.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 108.321 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -83.53 74.13 10.14 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.958 -1.019 . . . . 1.0 109.767 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -50.63 161.28 0.35 Allowed 'General case' 0 CA--C 1.54 0.585 0 O-C-N 124.139 0.899 . . . . 1.0 109.753 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.637 ' N ' HD23 ' A' ' 36' ' ' LEU . 2.0 mt -84.78 156.33 21.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 1.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.6 t -123.77 112.93 34.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.584 1.178 . . . . 1.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t0 55.51 41.33 30.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 1.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.0 37.89 59.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.109 . . . . 1.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.76 124.64 24.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 1.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.35 127.68 7.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.605 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 45.6 t -139.89 150.96 45.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 42' ' ' SER . 60.0 m-85 -157.12 48.17 0.43 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.017 -0.992 . . . . 1.0 109.809 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.476 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -98.14 148.08 23.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 1.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -41.88 152.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 1.0 109.295 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.446 ' HA ' ' HAB' ' A' ' 251' ' ' HEM . 0.0 OUTLIER -50.13 -38.26 38.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 1.0 108.332 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.64 61.29 0.36 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.488 1.118 . . . . 1.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.476 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 28.0 t -95.91 168.38 10.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 0.801 . . . . 1.0 110.01 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.1 m -52.08 132.47 32.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 1.0 110.024 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.68 43.28 94.49 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.111 . . . . 1.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 13.3 m -139.99 -145.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.3 -1.0 . . . . 1.0 108.3 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -90.92 72.27 6.5 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.749 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -122.04 46.13 2.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 1.0 109.266 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.17 94.65 2.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 1.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.543 HD13 ' HA ' ' A' ' 14' ' ' SER . 0.6 OUTLIER -94.35 18.39 11.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.08 -11.83 57.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 1.0 110.413 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.04 174.15 5.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 1.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.467 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -113.91 -11.7 12.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 1.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -172.6 135.94 0.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 1.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 154.27 158.31 8.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.133 . . . . 1.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.71 -14.7 15.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 1.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -112.15 43.11 1.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 1.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 t -135.29 141.62 45.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 1.0 110.017 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.451 ' O ' ' CGD' ' A' ' 305' ' ' HEM . 39.0 tp -102.33 38.21 1.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 1.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.467 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 5.7 t80 -131.02 -36.49 1.33 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.036 -0.984 . . . . 1.0 109.818 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.441 ' CD2' ' O2A' ' A' ' 251' ' ' HEM . 90.1 t80 -87.76 -1.94 58.29 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 118.934 -0.555 . . . . 1.0 109.864 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.3 m -118.59 3.39 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 1.0 109.34 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.796 HG21 ' O2D' ' A' ' 305' ' ' HEM . 2.3 t -102.3 -46.47 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 1.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.672 ' O ' ' C ' ' A' ' 70' ' ' ALA . 23.3 m80 -97.69 -80.43 0.45 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.745 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 1.091 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 15.01 90.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.89 20.7 7.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 1.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.7 -153.74 28.52 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.556 1.16 . . . . 1.0 111.007 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.68 99.34 12.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 1.0 110.263 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.091 HD11 ' CB ' ' A' ' 70' ' ' ALA . 44.1 mt -107.57 176.48 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -46.35 77.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 1.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -114.83 -152.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 109.608 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.5 m -112.25 102.87 11.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 1.0 110.366 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.814 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -64.97 167.53 7.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 1.0 109.963 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 18.8 m -60.76 -67.44 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 1.0 108.281 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -49.02 -22.32 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 1.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.804 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.26 -70.34 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 1.0 109.309 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.531 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 49.6 t -50.13 -59.58 3.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 1.0 108.302 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.464 ' O ' HG23 ' A' ' 87' ' ' VAL . 12.2 m170 -40.44 -28.22 0.06 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.99 -1.004 . . . . 1.0 109.762 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 4.4 t -60.18 -46.32 90.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 1.0 109.988 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 82' ' ' CYS . 0.1 OUTLIER -71.36 -38.59 71.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 1.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.722 HG11 ' CD1' ' A' ' 97' ' ' LEU . 71.5 t -54.54 -37.36 38.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 1.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 83' ' ' HIS . 24.0 t -54.9 -29.23 21.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 1.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.66 11.47 8.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 1.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.428 ' C ' ' HD3' ' A' ' 91' ' ' PRO . 4.7 tt0 -114.7 -36.93 4.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 1.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.446 ' HB3' HD12 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -130.11 64.56 72.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 1.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.428 ' HD3' ' C ' ' A' ' 89' ' ' GLU . 65.6 Cg_exo -45.67 -23.05 1.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.332 3.354 . . . . 1.0 109.63 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -85.03 28.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 1.0 110.27 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.516 ' O ' ' C ' ' A' ' 94' ' ' LYS . 20.9 mt -131.87 -73.99 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 1.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 93' ' ' LEU . 2.6 tttp 31.66 61.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 1.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 99' ' ' GLY . 4.3 mttp 171.05 -65.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 1.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.57 ' C ' HD23 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -41.11 -28.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 1.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.722 ' CD1' HG11 ' A' ' 86' ' ' VAL . 6.2 mt -107.96 -28.8 9.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 95' ' ' LYS . 7.3 p -126.03 57.18 1.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 1.0 110.374 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -115.75 126.93 7.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 1.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 82.3 m -72.55 -31.39 65.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.275 -1.009 . . . . 1.0 108.275 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.92 172.16 13.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 1.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 106' ' ' HIS . 0.1 OUTLIER 41.87 46.52 3.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 1.0 109.332 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.7 t -128.12 -167.56 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.83 0.6 55.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 1.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.408 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 0.9 OUTLIER -116.14 -50.07 2.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 1.0 108.312 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 102' ' ' LYS . 89.6 m-70 -118.07 83.22 19.01 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-N 114.943 -1.026 . . . . 1.0 109.76 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 39.1 Cg_exo . . . . . 0 N--CA 1.446 -1.28 0 C-N-CA 124.355 3.37 . . . . 1.0 109.61 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.969 ' O2D' HG13 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.581 HMD1 ' CGD' ' A' ' 251' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.536 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.82 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.784 ' HB1' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 122.091 0.948 . . . . 1.0 109.289 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.784 ' CD ' ' HB1' ' A' ' 1' ' ' ALA . 32.8 Cg_exo -62.53 141.46 86.44 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.306 3.338 . . . . 1.0 109.585 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.0 122.73 13.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 1.0 109.279 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.94 122.12 81.06 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 1.0 109.274 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -76.44 124.02 7.45 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.305 3.337 . . . . 1.0 109.576 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.403 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.3 p30 -86.21 10.16 15.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.321 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.86 91.33 25.76 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 1.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.663 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 12.1 Cg_exo -40.64 140.05 1.12 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.29 3.327 . . . . 1.0 109.631 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.08 148.56 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 1.0 109.257 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -78.78 144.89 34.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 1.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.867 HG22 ' CGD' ' A' ' 233' ' ' HEM . 23.4 t -116.72 66.49 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 1.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp -39.79 133.73 1.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 1.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -125.3 -152.65 8.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 1.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.522 ' N ' ' CD2' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -61.0 -69.28 0.24 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 0.774 . . . . 1.0 110.029 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.449 ' N ' ' OG ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -147.31 47.45 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 1.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -167.63 99.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 1.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.6 m -70.9 133.62 46.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 1.0 110.411 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.6 t -137.86 127.09 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 1.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.0 ptp -102.51 140.03 37.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 1.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.744 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 23.4 t80 -115.46 124.45 30.04 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 1.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.746 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 30.8 Cg_endo -88.48 138.19 3.77 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.317 3.345 . . . . 1.0 109.571 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -87.17 -33.17 19.47 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.152 0.907 . . . . 1.0 109.727 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.915 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -48.22 -54.98 20.6 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 1.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.915 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 29.1 Cg_exo -64.6 -5.97 11.26 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.329 3.353 . . . . 1.0 109.584 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.462 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 70.0 m80 -134.17 39.7 3.08 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.151 0.907 . . . . 1.0 109.759 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.14 5.27 46.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 110.306 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -114.51 -20.22 10.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 1.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.4 t -86.1 123.4 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.07 138.72 4.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.091 . . . . 1.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 31' ' ' VAL . 5.3 m -53.02 -62.64 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 1.0 108.328 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.465 HG13 ' H ' ' A' ' 32' ' ' THR . 2.6 p -37.06 -55.26 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.465 ' H ' HG13 ' A' ' 31' ' ' VAL . 8.0 m -34.52 -39.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 1.0 110.426 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.599 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.8 OUTLIER -102.64 -53.25 2.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 1.0 108.27 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.1 m-70 -84.33 71.11 10.69 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.03 -0.987 . . . . 1.0 109.763 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.495 ' CG ' ' CE1' ' A' ' 76' ' ' HIS . 3.2 p80 -46.82 160.53 0.08 Allowed 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.169 0.918 . . . . 1.0 109.794 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.08 152.28 24.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 1.0 109.301 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.5 t -120.86 112.04 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 1.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.12 39.09 25.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 1.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 60.23 30.45 70.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.142 . . . . 1.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -128.71 100.22 5.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.75 . . . . 1.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -44.21 126.1 4.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 1.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.3 t -140.05 157.35 45.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 1.0 109.967 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -142.25 56.31 1.46 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.992 -1.004 . . . . 1.0 109.827 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.649 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -98.82 142.22 30.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 1.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.77 152.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 1.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.42 ' HA ' ' HAB' ' A' ' 251' ' ' HEM . 0.5 OUTLIER -49.36 -30.65 8.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 1.0 108.315 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -110.56 63.87 0.27 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.117 . . . . 1.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.649 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 25.2 t -102.54 168.65 9.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 1.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 84.8 p -52.18 131.67 32.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 1.0 109.974 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 55.18 52.13 49.34 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 1.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.424 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 19.0 m -146.97 -143.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -91.87 79.42 5.3 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.961 -1.018 . . . . 1.0 109.774 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -132.3 51.47 2.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 1.0 109.29 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.57 94.61 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' A' ' 14' ' ' SER . 4.6 tp -91.82 15.72 12.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.8 m -71.83 -19.08 62.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 1.0 110.419 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.8 162.94 13.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.556 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 14.8 mttt -103.09 -3.92 25.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 1.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -172.95 131.33 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 1.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.42 158.15 8.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.125 . . . . 1.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.81 -30.03 60.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 0.777 . . . . 1.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.56 32.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 1.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -131.0 136.08 48.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 1.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.474 ' HG ' ' CGD' ' A' ' 305' ' ' HEM . 45.1 tp -97.78 36.74 1.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 1.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.556 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 3.5 t80 -129.19 -33.62 1.93 Allowed 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.832 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -87.25 -3.13 59.03 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 118.895 -0.574 . . . . 1.0 109.846 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.5 m -118.69 4.86 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 1.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 t -105.28 -44.39 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 1.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.674 ' O ' ' C ' ' A' ' 70' ' ' ALA . 36.5 m80 -98.23 -81.71 0.43 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.021 -0.99 . . . . 1.0 109.765 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 1.077 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 14.77 89.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 1.0 109.306 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.423 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -91.55 20.66 5.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 1.0 110.317 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.57 -160.31 27.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 1.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -86.41 101.12 12.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 1.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.077 HD11 ' CB ' ' A' ' 70' ' ' ALA . 50.6 mt -108.72 175.91 5.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 1.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.436 ' CD ' ' O1D' ' A' ' 251' ' ' HEM . 25.7 tttp -55.03 -50.84 68.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 1.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.495 ' CE1' ' CG ' ' A' ' 35' ' ' HIS . 3.3 m80 -106.98 -140.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 109.576 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.3 m -125.67 104.52 8.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 1.0 110.357 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.841 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -66.69 166.68 12.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 1.0 109.992 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.406 ' C ' ' N ' ' A' ' 81' ' ' ALA . 10.3 m -61.71 -66.27 0.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 1.0 108.337 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -48.82 -22.44 0.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 1.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.788 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.8 -70.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 1.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.457 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 52.8 t -50.27 -62.17 1.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 1.0 108.313 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -38.23 -29.21 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.742 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 4.6 p -59.81 -50.17 74.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 1.0 109.975 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.524 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 6.8 tptt -66.91 -34.64 78.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 1.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.675 HG11 HD12 ' A' ' 97' ' ' LEU . 88.1 t -60.36 -50.0 82.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 1.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.704 HG21 ' CG2' ' A' ' 98' ' ' THR . 14.3 t -54.83 -19.58 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 1.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -85.87 11.38 11.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 1.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 86' ' ' VAL . 0.3 OUTLIER -125.76 -45.07 1.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 1.0 110.305 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 93' ' ' LEU . 1.9 tptt -122.26 75.16 41.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 1.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.408 ' HD3' ' C ' ' A' ' 89' ' ' GLU . 78.3 Cg_exo -45.33 -22.82 1.02 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.313 3.342 . . . . 1.0 109.613 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.406 ' O ' HD12 ' A' ' 93' ' ' LEU . 2.8 pt-20 -84.85 19.91 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 1.0 110.284 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 90' ' ' LYS . 3.1 mp -130.42 14.22 5.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 1.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -56.34 23.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 1.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -90.19 35.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 1.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.469 ' C ' HD23 ' A' ' 97' ' ' LEU . 4.5 t0 -130.53 -46.52 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 1.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.675 HD12 HG11 ' A' ' 86' ' ' VAL . 6.0 mt -101.74 -16.34 16.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 1.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.704 ' CG2' HG21 ' A' ' 87' ' ' VAL . 1.4 p -138.7 41.58 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 1.0 110.405 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.62 127.57 9.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.556 1.16 . . . . 1.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 72.6 m -69.03 -28.16 66.32 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.312 -0.996 . . . . 1.0 108.312 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -149.05 172.98 13.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 1.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 42.86 43.02 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 1.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.7 p -123.71 -153.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 1.0 110.062 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -108.31 16.39 23.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 1.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.5 OUTLIER -128.59 -52.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 1.0 108.336 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -114.28 63.36 1.26 Allowed Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 115.032 -0.985 . . . . 1.0 109.747 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.413 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 28.4 Cg_endo . . . . . 0 N--CA 1.447 -1.241 0 C-N-CA 124.32 3.347 . . . . 1.0 109.605 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.867 ' CGD' HG22 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.436 ' O1D' ' CD ' ' A' ' 75' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.591 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.817 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.704 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 122.057 0.932 . . . . 1.0 109.301 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.704 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 33.5 Cg_endo -58.06 123.23 13.2 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.301 3.334 . . . . 1.0 109.584 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -40.33 125.7 2.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 1.0 109.302 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 4' ' ' VAL . 7.1 p -44.31 110.51 1.02 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 1.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -50.54 130.93 31.31 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.295 3.33 . . . . 1.0 109.606 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -90.74 9.26 30.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 1.0 109.292 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.46 92.48 43.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 1.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.578 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 11.4 Cg_exo -40.42 154.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.3 3.334 . . . . 1.0 109.613 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.461 ' CG2' HBD2 ' A' ' 233' ' ' HEM . 0.0 OUTLIER -117.86 148.76 20.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 1.0 109.317 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -81.79 147.57 29.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 1.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.572 HG22 ' O2D' ' A' ' 233' ' ' HEM . 26.0 t -121.33 72.52 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 1.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -57.84 88.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 1.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 11' ' ' VAL . . . -62.0 -149.6 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 1.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -57.82 10.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 1.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -146.61 46.51 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.45 129.4 2.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 1.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 95.5 m -92.96 118.67 31.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 1.0 110.435 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 11' ' ' VAL . 36.0 t -128.55 126.0 64.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 1.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.54 135.13 45.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 1.0 110.995 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.736 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 25.8 t80 -112.27 123.32 34.5 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.705 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 39.7 Cg_endo -87.25 137.11 4.24 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.289 3.326 . . . . 1.0 109.583 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -87.39 -32.87 19.34 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.146 0.904 . . . . 1.0 109.788 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.926 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.73 -55.03 18.8 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 1.0 109.338 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.926 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 25.8 Cg_exo -64.99 -5.59 11.1 Favored 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.318 3.345 . . . . 1.0 109.569 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.483 ' CD2' ' CBC' ' A' ' 233' ' ' HEM . 68.4 m80 -132.39 38.56 3.45 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 124.147 0.905 . . . . 1.0 109.775 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.86 8.7 41.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 1.0 110.258 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -121.43 -2.98 9.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 1.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.0 t -103.6 122.65 56.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 1.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' A' ' 32' ' ' THR . 2.6 mt-10 -43.19 129.02 4.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 1.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 34' ' ' HIS . 7.8 m -46.81 -57.42 4.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 108.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 32' ' ' THR . 3.7 p -42.14 -48.46 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.432 ' CB ' ' O ' ' A' ' 29' ' ' GLU . 1.6 m -37.86 -40.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 1.0 110.407 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.594 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 1.3 m -103.21 -54.79 2.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 1.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 30' ' ' CYS . 99.0 m-70 -82.53 72.47 9.6 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.992 -1.003 . . . . 1.0 109.777 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.455 ' HB2' ' CD2' ' A' ' 76' ' ' HIS . 6.5 p80 -47.82 159.9 0.15 Allowed 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.098 0.874 . . . . 1.0 109.752 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.36 146.92 27.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 1.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.4 t -117.74 112.45 38.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 1.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t0 54.06 40.77 31.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 1.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.67 38.7 73.16 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.136 . . . . 1.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -136.0 101.05 4.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 1.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -43.56 124.52 3.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 1.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.0 t -139.51 157.56 45.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 1.0 110.027 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -145.67 56.08 1.2 Allowed 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.053 -0.976 . . . . 1.0 109.869 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.424 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -95.2 142.82 27.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -43.39 146.19 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 1.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.483 ' HA ' ' HAB' ' A' ' 251' ' ' HEM . 0.1 OUTLIER -46.81 -32.7 3.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 1.0 108.289 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.65 61.57 0.35 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 1.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.424 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 27.6 t -100.39 167.67 10.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 1.0 110.016 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.6 m -57.9 137.38 56.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 1.0 110.014 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 55.68 46.03 83.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 1.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.421 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 19.5 m -145.35 -143.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.341 -0.985 . . . . 1.0 108.341 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -90.47 81.65 5.95 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.738 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -136.07 47.58 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 1.0 109.34 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -152.92 95.04 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.574 HD22 ' O1A' ' A' ' 305' ' ' HEM . 22.1 mt -94.79 17.98 12.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 1.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.71 -7.16 25.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 1.0 110.404 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.541 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -85.81 -52.97 5.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 1.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 3.7 tmtm? 90.6 -37.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 1.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.2 129.4 19.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 1.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 142.3 178.53 18.41 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.532 1.145 . . . . 1.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.07 15.94 4.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.78 . . . . 1.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -128.8 35.49 4.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 1.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -133.57 148.56 51.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 1.0 110.007 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.698 HD23 ' O1D' ' A' ' 305' ' ' HEM . 44.2 tp -107.05 40.45 1.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 1.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -132.39 -35.44 1.16 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.819 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -86.85 -1.62 57.94 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.923 -0.561 . . . . 1.0 109.831 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.4 m -119.39 3.18 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 1.0 109.343 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -103.68 -44.76 9.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 1.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.678 ' O ' ' C ' ' A' ' 70' ' ' ALA . 33.8 m80 -97.47 -81.42 0.43 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.045 -0.979 . . . . 1.0 109.76 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 1.064 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 13.97 91.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 1.0 109.264 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.41 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -93.81 21.86 6.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 1.0 110.284 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -101.93 -160.96 26.6 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.129 . . . . 1.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.41 100.43 11.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 1.0 110.278 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.064 HD11 ' CB ' ' A' ' 70' ' ' ALA . 63.8 mt -108.17 175.7 5.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 1.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -51.2 69.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.455 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 15.6 m80 -105.95 -139.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 1.0 109.578 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.3 m -126.71 105.49 8.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 1.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.854 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.55 166.56 14.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 1.0 109.976 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.41 ' C ' ' N ' ' A' ' 81' ' ' ALA . 8.7 m -61.48 -66.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 1.0 108.276 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -48.8 -21.89 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 1.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.777 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -66.68 -72.13 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.548 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 53.8 t -47.83 -63.15 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 108.315 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.434 ' ND1' ' HB3' ' A' ' 97' ' ' LEU . 15.6 m170 -36.77 -45.24 0.53 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.998 -1.001 . . . . 1.0 109.752 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 t -43.12 -42.5 4.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 1.0 109.965 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.2 ttmt -74.57 -45.34 46.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 1.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.648 HG11 ' CD1' ' A' ' 97' ' ' LEU . 94.1 t -52.69 -40.33 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 1.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 57.1 t -54.15 -23.18 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -87.9 14.94 7.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 1.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -117.2 -38.85 3.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 1.0 110.292 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.423 ' N ' ' HD3' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -130.58 65.12 75.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 1.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.439 ' HD3' ' C ' ' A' ' 89' ' ' GLU . 61.8 Cg_exo -46.78 -22.69 2.03 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.271 3.314 . . . . 1.0 109.603 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -87.93 29.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 1.0 110.264 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 95' ' ' LYS . 13.0 mt -139.35 -70.27 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 1.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 98' ' ' THR . 15.3 tttt 52.85 -90.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 1.0 109.349 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 93' ' ' LEU . 7.4 mttm -39.37 -49.16 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 1.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.708 ' C ' HD23 ' A' ' 97' ' ' LEU . 4.0 t70 -35.33 -38.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 1.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.708 HD23 ' C ' ' A' ' 96' ' ' ASP . 6.1 mt -111.54 -21.89 11.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 1.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 94' ' ' LYS . 67.5 p -118.38 -139.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 110.385 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.86 131.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.142 . . . . 1.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.52 ' SG ' ' CMB' ' A' ' 305' ' ' HEM . 84.1 m -75.21 -30.5 60.62 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.314 -0.995 . . . . 1.0 108.314 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.74 164.36 25.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 1.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 52.75 59.63 4.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 1.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.0 p -142.61 -175.51 4.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 1.0 109.985 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -89.96 4.35 50.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 1.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -113.34 -49.25 2.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 1.0 108.282 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -121.09 83.12 37.87 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 114.951 -1.022 . . . . 1.0 109.755 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo . . . . . 0 N--CA 1.448 -1.188 0 C-N-CA 124.274 3.316 . . . . 1.0 109.561 179.884 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.736 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.531 ' O1A' HD22 ' A' ' 74' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.587 ' C1C' HBC1 ' A' ' 233' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.817 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 122.087 0.946 . . . . 1.0 109.354 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.57 ' HG2' ' CG ' ' A' ' 43' ' ' TYR . 96.3 Cg_exo -41.68 118.81 0.93 Allowed 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.302 3.335 . . . . 1.0 109.626 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -40.82 123.55 1.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 1.0 109.293 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.4 123.7 85.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 1.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -71.48 120.67 7.1 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.311 3.341 . . . . 1.0 109.589 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -83.53 6.57 19.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 1.0 109.32 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -105.38 152.34 39.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 1.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -76.39 138.79 20.16 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.319 3.346 . . . . 1.0 109.611 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.595 HG21 HBD1 ' A' ' 233' ' ' HEM . 30.6 m -124.22 129.52 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 1.0 109.257 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.86 144.53 31.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.2 t -117.92 67.04 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 1.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.37 102.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 1.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.48 -150.34 9.98 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 1.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.472 ' HB3' ' CGA' ' A' ' 305' ' ' HEM . 0.1 OUTLIER -55.06 -67.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 1.0 109.98 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.33 44.51 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 1.0 110.272 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -160.48 135.6 7.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.6 m -97.61 128.88 44.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 1.0 110.385 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.0 t -135.46 126.65 45.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 1.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -98.73 135.84 39.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 1.0 110.961 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.736 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 37.0 t80 -119.54 116.45 33.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 1.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.761 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 79.6 Cg_endo -85.32 138.92 6.73 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.296 3.331 . . . . 1.0 109.6 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -87.65 -30.76 20.18 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.18 0.925 . . . . 1.0 109.815 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.906 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.82 -54.29 24.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 1.0 109.255 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.906 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 37.9 Cg_exo -64.37 -5.64 10.23 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.332 3.355 . . . . 1.0 109.572 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.475 ' CD2' ' CBC' ' A' ' 233' ' ' HEM . 63.6 m80 -133.2 38.66 3.31 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 124.109 0.881 . . . . 1.0 109.811 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 6.8 tt0 -97.51 5.11 50.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 1.0 110.317 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.6 -5.19 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.6 t -101.52 118.38 48.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 1.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.427 ' O ' ' HB ' ' A' ' 32' ' ' THR . 5.5 mp0 -42.77 144.96 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 1.0 110.338 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 34' ' ' HIS . 4.4 m -59.35 -64.67 0.86 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 1.0 108.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.542 HG13 ' H ' ' A' ' 32' ' ' THR . 3.1 p -38.7 -57.61 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 1.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.542 ' H ' HG13 ' A' ' 31' ' ' VAL . 16.6 m -35.77 -32.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 1.0 110.428 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.511 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.9 OUTLIER -107.42 -57.09 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 1.0 108.303 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 30' ' ' CYS . 96.6 m-70 -81.74 72.21 8.78 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.99 -1.005 . . . . 1.0 109.722 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.552 ' HB2' ' CD2' ' A' ' 76' ' ' HIS . 1.7 p80 -42.07 160.55 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 O-C-N 124.112 0.882 . . . . 1.0 109.704 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.33 151.68 22.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 1.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 79.5 t -115.81 113.5 43.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 1.0 109.346 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 55.54 41.46 30.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 1.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.5 31.39 77.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.107 . . . . 1.0 110.982 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.66 129.61 35.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.763 . . . . 1.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.75 147.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 1.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.412 ' O ' ' CG ' ' A' ' 43' ' ' TYR . 4.1 t -142.91 141.63 31.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 1.0 110.016 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.57 ' CG ' ' HG2' ' A' ' 2' ' ' PRO . 97.2 m-85 -157.93 43.9 0.31 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.992 -1.004 . . . . 1.0 109.863 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' LYS . . . -105.52 149.31 26.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -40.06 144.93 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 1.0 109.265 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.484 ' SG ' HD11 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -49.25 -24.94 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 1.0 108.282 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -117.96 66.69 0.35 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.561 1.163 . . . . 1.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.2 t -100.85 167.46 10.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 0.754 . . . . 1.0 110.03 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.31 131.21 37.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 1.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.44 38.82 96.93 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 1.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.411 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 18.2 m -136.51 -145.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -89.31 82.1 6.56 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.001 -1.0 . . . . 1.0 109.734 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -133.1 54.77 1.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 1.0 109.254 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.13 96.49 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 1.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.461 ' N ' HD12 ' A' ' 55' ' ' LEU . 6.3 mp -97.42 19.95 12.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -97.43 -7.05 32.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 1.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.54 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -86.47 -50.47 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 1.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 2.2 tppt? 90.34 -21.02 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 1.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -161.96 134.39 5.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 1.0 109.338 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 140.26 175.77 14.67 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 1.0 111.012 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.31 10.87 6.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 1.0 110.262 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.71 33.66 5.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 1.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -132.91 151.55 52.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 1.0 110.028 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.484 HD11 ' SG ' ' A' ' 46' ' ' CYS . 43.9 tp -110.03 42.39 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -134.36 -36.2 0.89 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.816 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.435 ' O ' ' CD2' ' A' ' 66' ' ' TYR . 84.0 t80 -87.01 4.18 42.94 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 118.918 -0.563 . . . . 1.0 109.84 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.4 m -124.47 1.2 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 1.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.977 HG21 ' CGD' ' A' ' 305' ' ' HEM . 2.3 t -103.32 -46.53 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 1.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.682 ' O ' ' C ' ' A' ' 70' ' ' ALA . 38.0 m80 -94.16 -80.81 0.39 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.96 -1.018 . . . . 1.0 109.775 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 1.069 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 12.15 92.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.412 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -94.84 21.27 7.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 1.0 110.269 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.12 -157.75 25.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.113 . . . . 1.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -83.87 105.12 14.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 1.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.069 HD11 ' CB ' ' A' ' 70' ' ' ALA . 79.6 mt -113.47 -178.91 3.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 1.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -50.38 71.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 1.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.552 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 18.9 m80 -108.8 -139.71 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.0 109.588 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.2 m -124.16 104.68 8.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 1.0 110.38 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.855 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.35 165.96 15.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 1.0 109.96 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.417 ' C ' ' N ' ' A' ' 81' ' ' ALA . 9.2 m -61.47 -66.86 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 1.0 108.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -48.42 -22.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 1.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.797 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -65.16 -69.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 1.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.525 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 47.7 t -51.73 -61.84 2.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 1.0 108.292 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -37.75 -29.69 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.74 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' CYS . 5.6 t -59.3 -49.05 79.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 1.0 110.056 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.547 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -68.21 -37.05 80.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.479 HG11 HD12 ' A' ' 97' ' ' LEU . 80.7 t -57.0 -48.07 82.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 1.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.786 HG21 HG21 ' A' ' 98' ' ' THR . 24.2 t -55.58 -20.46 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 1.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -85.54 10.33 13.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.403 ' C ' ' HD3' ' A' ' 91' ' ' PRO . 4.2 tp10 -125.69 -45.29 1.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 1.0 110.279 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.792 ' HG2' HD13 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -122.16 75.32 40.72 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 1.0 109.26 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.403 ' HD3' ' C ' ' A' ' 89' ' ' GLU . 74.0 Cg_exo -45.41 -22.89 1.09 Allowed 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.301 3.334 . . . . 1.0 109.621 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.557 ' O ' HD12 ' A' ' 93' ' ' LEU . 3.8 pt-20 -85.46 20.29 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 1.0 110.302 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.792 HD13 ' HG2' ' A' ' 90' ' ' LYS . 6.6 mp -130.45 13.7 5.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 1.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -61.17 -58.47 8.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.91 35.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 1.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.497 ' OD2' ' CG ' ' A' ' 104' ' ' LYS . 0.8 OUTLIER -133.05 -46.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.479 HD12 HG11 ' A' ' 86' ' ' VAL . 7.8 mt -101.68 -15.06 17.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.786 HG21 HG21 ' A' ' 87' ' ' VAL . 1.2 p -136.58 38.46 2.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 1.0 110.41 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.64 130.92 10.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 1.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 76.8 m -70.06 -29.91 67.03 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.81 170.9 15.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 1.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 47.27 39.34 8.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 1.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 94.5 p -121.64 -168.31 1.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 1.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.497 ' CG ' ' OD2' ' A' ' 96' ' ' ASP . 0.1 OUTLIER -92.52 7.15 44.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 1.0 109.329 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -118.07 -54.12 2.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 1.0 108.336 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -113.44 65.04 1.08 Allowed Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.779 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.415 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 42.6 Cg_endo . . . . . 0 N--CA 1.448 -1.188 0 C-N-CA 124.267 3.311 . . . . 1.0 109.577 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.736 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.471 ' HAB' ' HA ' ' A' ' 46' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.584 ' C1C' HBC1 ' A' ' 233' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.977 ' CGD' HG21 ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 122.107 0.956 . . . . 1.0 109.318 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -61.19 155.54 50.64 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.337 3.358 . . . . 1.0 109.62 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.46 125.32 25.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 1.0 109.255 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.0 p -53.36 125.51 43.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 1.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.548 ' HG2' ' ND1' ' A' ' 22' ' ' HIS . 43.0 Cg_endo -69.68 125.47 12.22 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.328 3.352 . . . . 1.0 109.566 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.6 p30 -85.39 9.09 16.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 1.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.22 147.44 44.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 1.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -79.37 126.31 6.79 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.303 3.335 . . . . 1.0 109.583 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.738 HG23 ' O1D' ' A' ' 233' ' ' HEM . 19.0 m -101.35 141.79 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.0 109.327 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.36 141.39 50.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 1.0 110.262 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.808 HG22 ' O1D' ' A' ' 233' ' ' HEM . 34.0 t -114.57 64.81 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 1.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 11' ' ' VAL . 6.8 mmtt -39.37 146.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 1.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -144.44 -149.87 5.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.447 1.092 . . . . 1.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -57.36 -73.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 1.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.427 ' N ' ' OG ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -146.03 46.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 110.325 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.557 ' HD2' ' CE1' ' A' ' 106' ' ' HIS . 0.2 OUTLIER -162.4 110.28 1.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 1.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.6 m -81.77 134.78 35.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 1.0 110.355 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.4 t -139.43 127.46 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 1.0 109.284 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -103.16 136.6 42.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.683 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 22.6 t80 -117.63 122.91 30.26 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 1.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.741 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 34.4 Cg_endo -87.39 137.95 4.47 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.302 3.335 . . . . 1.0 109.589 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.548 ' ND1' ' HG2' ' A' ' 5' ' ' PRO . 4.7 m80 -87.45 -33.11 19.16 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 124.134 0.896 . . . . 1.0 109.785 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.924 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.71 -54.87 19.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 1.0 109.243 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.924 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 26.2 Cg_exo -65.02 -4.95 9.86 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.313 3.342 . . . . 1.0 109.586 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.518 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 70.3 m80 -133.65 38.75 3.23 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 124.159 0.912 . . . . 1.0 109.78 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.539 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 10.6 tt0 -101.4 7.69 42.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 1.0 110.311 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.45 -4.8 10.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 1.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.2 t -102.47 117.68 48.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 1.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.548 ' OE1' HG12 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -39.5 134.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.075 . . . . 1.0 110.323 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.6 m -49.77 -61.13 2.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 1.0 108.315 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.548 HG12 ' OE1' ' A' ' 29' ' ' GLU . 7.6 p -40.27 -52.93 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 1.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.478 ' N ' HG13 ' A' ' 31' ' ' VAL . 3.7 m -36.9 -32.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.592 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.9 OUTLIER -110.4 -54.22 2.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 1.0 108.283 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -83.61 75.25 10.06 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.008 -0.996 . . . . 1.0 109.782 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -48.65 159.71 0.22 Allowed 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.118 0.886 . . . . 1.0 109.778 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.42 150.74 25.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 1.0 109.286 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.2 t -124.56 113.07 34.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 1.0 109.248 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 52.83 40.69 31.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 1.0 109.279 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.01 31.39 61.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.118 . . . . 1.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.45 93.13 3.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.787 . . . . 1.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -44.25 124.19 3.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 1.0 110.317 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.2 t -134.21 158.55 43.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 1.0 110.035 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -142.89 56.72 1.41 Allowed 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.029 -0.987 . . . . 1.0 109.854 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.86 148.7 23.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -39.98 142.8 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 1.0 109.254 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.53 ' HA ' ' HAB' ' A' ' 251' ' ' HEM . 0.1 OUTLIER -50.58 -36.57 35.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 1.0 108.313 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.09 51.43 0.96 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 1.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.704 ' OG ' HMC3 ' A' ' 251' ' ' HEM . 0.0 OUTLIER -69.35 154.34 42.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 1.0 109.983 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.0 98.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 1.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.81 -40.35 2.35 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 1.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 55.6 m -63.53 -129.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.317 -0.994 . . . . 1.0 108.317 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -86.04 72.13 10.48 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.999 -1.001 . . . . 1.0 109.772 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -126.81 51.49 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 1.0 109.318 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -150.95 90.67 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 1.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 14' ' ' SER . 0.5 OUTLIER -97.69 20.49 11.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 1.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.56 -5.88 24.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 1.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -85.9 -49.64 7.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 1.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 11.8 tptm 90.65 -23.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 1.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -164.44 125.34 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 1.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 154.53 -177.99 31.57 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.106 . . . . 1.0 111.047 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -85.09 14.54 4.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 1.0 110.338 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 1.7 mttt -136.06 40.19 2.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 1.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -135.47 143.86 46.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 1.0 110.03 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.6 tp -101.94 38.67 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 1.0 109.353 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -131.5 -37.39 1.21 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.827 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -87.77 -2.0 58.33 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 118.944 -0.551 . . . . 1.0 109.861 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.472 HG12 ' O1A' ' A' ' 251' ' ' HEM . 10.7 m -118.69 2.32 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -101.79 -49.27 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 1.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.688 ' O ' ' C ' ' A' ' 70' ' ' ALA . 31.4 m80 -92.95 -80.13 0.38 Allowed 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.988 -1.006 . . . . 1.0 109.763 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.949 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 11.69 89.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 1.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.434 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -91.93 29.63 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 1.0 110.282 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.87 -164.23 18.57 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 1.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -79.14 102.03 8.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 1.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.949 HD11 ' CB ' ' A' ' 70' ' ' ALA . 86.4 mt -110.09 158.82 17.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 1.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -45.31 -31.78 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 1.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -123.68 -142.73 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 1.0 109.595 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.9 m -126.77 105.15 8.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 1.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.882 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -68.6 165.78 18.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 1.0 110.008 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 16.2 m -60.92 -67.03 0.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 1.0 108.329 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.96 -22.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 1.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.812 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -63.82 -70.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 1.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.521 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 52.5 t -49.86 -60.01 3.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 1.0 108.27 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -40.39 -30.8 0.12 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.024 -0.989 . . . . 1.0 109.798 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -48.99 67.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 1.0 109.986 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -66.73 -38.65 87.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 1.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.4 t -59.89 -49.86 82.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 1.0 109.258 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.462 HG21 HG21 ' A' ' 98' ' ' THR . 3.3 t -53.96 -32.08 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -66.78 -9.64 39.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 1.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.67 -43.42 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 1.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.503 ' O ' ' CD2' ' A' ' 93' ' ' LEU . 4.8 ttmt -127.31 72.82 77.37 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 1.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -80.57 29.8 0.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.332 3.355 . . . . 1.0 109.619 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.635 ' C ' HD22 ' A' ' 93' ' ' LEU . 13.0 pt-20 -87.58 22.78 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 1.0 110.31 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.804 HD22 ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -119.24 -70.89 0.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 1.0 109.298 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.5 tttt 74.66 -74.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 1.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.99 44.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 1.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.475 ' CB ' ' HB3' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -130.34 -44.91 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.462 ' CD1' ' HG ' ' A' ' 93' ' ' LEU . 74.5 mt -106.65 -19.02 13.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 1.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.462 HG21 HG21 ' A' ' 87' ' ' VAL . 2.2 p -131.29 27.38 4.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 1.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.57 133.24 11.23 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.552 1.157 . . . . 1.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 68.2 m -69.08 -29.4 67.5 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.291 -1.003 . . . . 1.0 108.291 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -139.94 172.85 12.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 45.79 38.05 3.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 1.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.3 p -119.98 -177.29 3.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 1.0 109.948 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.29 -0.5 55.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 1.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -108.54 -49.46 3.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 1.0 108.31 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.557 ' CE1' ' HD2' ' A' ' 16' ' ' LYS . 91.6 m-70 -117.19 58.06 2.11 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.75 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 106' ' ' HIS . 55.5 Cg_endo . . . . . 0 N--CA 1.447 -1.238 0 C-N-CA 124.327 3.352 . . . . 1.0 109.621 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.808 ' O1D' HG22 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.704 HMC3 ' OG ' ' A' ' 48' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.552 ' C1C' HBC1 ' A' ' 233' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.816 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 122.107 0.956 . . . . 1.0 109.312 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -44.51 121.48 3.29 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.331 3.354 . . . . 1.0 109.582 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -43.44 125.48 3.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 1.0 109.272 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' ' 4' ' ' VAL . 8.7 p -59.46 116.72 17.51 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 1.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -45.86 135.08 13.95 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.315 3.343 . . . . 1.0 109.626 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -84.23 7.46 19.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 1.0 109.306 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.23 152.62 77.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 1.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -74.84 162.98 36.5 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.252 3.301 . . . . 1.0 109.615 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.13 144.32 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 1.0 109.28 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -82.85 145.99 29.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.0 110.325 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.894 HG13 ' O1D' ' A' ' 233' ' ' HEM . 15.0 t -120.59 69.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 1.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.76 141.41 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.68 -149.36 5.54 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 1.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.434 ' OG ' ' N ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -57.76 -74.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 1.0 110.024 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.434 ' N ' ' OG ' ' A' ' 14' ' ' SER . 0.7 OUTLIER -147.19 46.65 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 1.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -161.05 94.17 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 1.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.3 m -70.95 133.7 46.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 1.0 110.416 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.2 t -140.42 127.01 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 1.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.8 ptp -103.06 138.83 39.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 1.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.753 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 19.5 t80 -116.04 124.44 29.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 1.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.742 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 32.5 Cg_endo -87.85 138.6 4.36 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.278 3.319 . . . . 1.0 109.582 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -87.64 -33.26 18.89 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 124.1 0.875 . . . . 1.0 109.753 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.912 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.95 -54.82 21.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 1.0 109.311 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.912 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 26.1 Cg_exo -65.31 -5.19 10.72 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.323 3.349 . . . . 1.0 109.616 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.444 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 70.1 m80 -134.7 40.57 2.95 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 124.172 0.92 . . . . 1.0 109.762 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.18 9.74 39.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 1.0 110.314 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.3 -3.5 9.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 1.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.7 t -103.34 123.02 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 1.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 32' ' ' THR . 2.2 mt-10 -44.63 134.07 5.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 1.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.6 m -49.99 -59.32 3.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 1.0 108.274 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 32' ' ' THR . 7.4 p -39.48 -48.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 1.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.404 ' CB ' ' O ' ' A' ' 29' ' ' GLU . 2.0 m -38.71 -39.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 110.397 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.607 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 1.3 m -105.37 -54.95 2.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 1.0 108.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -82.77 72.87 9.84 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.989 -1.005 . . . . 1.0 109.761 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 5.2 p80 -48.53 160.55 0.16 Allowed 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.201 0.938 . . . . 1.0 109.765 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.41 147.53 29.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 1.0 109.321 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -121.21 113.09 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 52.71 41.24 31.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 1.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.96 35.08 62.71 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.55 1.156 . . . . 1.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -133.91 96.11 3.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 0.8 . . . . 1.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.34 123.03 3.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 1.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.7 t -137.86 158.68 43.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 1.0 109.959 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -140.95 56.35 1.56 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.939 -1.028 . . . . 1.0 109.814 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.47 144.92 25.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 1.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.48 149.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 1.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.484 ' HA ' ' HAB' ' A' ' 251' ' ' HEM . 0.0 OUTLIER -50.29 -36.0 29.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 108.285 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -107.71 62.69 0.29 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.479 1.112 . . . . 1.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.8 t -96.51 168.2 10.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.774 . . . . 1.0 110.005 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.8 p -53.39 128.28 27.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 61.73 51.76 55.24 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.153 . . . . 1.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.437 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 22.3 m -148.31 -142.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.329 -0.989 . . . . 1.0 108.329 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -90.77 82.91 5.69 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.026 -0.988 . . . . 1.0 109.763 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -134.42 48.94 2.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.078 . . . . 1.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -147.2 97.26 2.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.03 18.95 11.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 1.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.87 -38.53 8.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 1.0 110.414 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.549 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -55.79 -56.15 23.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 1.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.1 OUTLIER 91.11 -25.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 1.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.0 pttp -153.22 136.51 15.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 1.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.46 -179.38 17.8 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.571 1.17 . . . . 1.0 110.96 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.427 ' OE2' ' N ' ' A' ' 61' ' ' GLU . 3.7 pm0 -85.08 15.17 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 1.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -131.95 36.97 3.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 1.0 109.35 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -134.12 143.82 48.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 1.0 109.967 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 36.1 tp -101.65 37.74 1.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 109.298 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -131.54 -35.58 1.3 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.022 -0.99 . . . . 1.0 109.835 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -87.68 -0.79 57.38 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.861 -0.59 . . . . 1.0 109.822 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 m -120.47 1.89 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 1.0 109.321 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -102.3 -45.58 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 1.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.672 ' O ' ' C ' ' A' ' 70' ' ' ALA . 34.4 m80 -96.42 -81.19 0.42 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.773 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 1.068 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 14.97 85.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 1.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -85.14 13.39 6.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 1.0 110.324 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.93 -168.93 36.5 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 1.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -80.75 105.69 12.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 1.0 110.327 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.068 HD11 ' CB ' ' A' ' 70' ' ' ALA . 36.8 mt -112.06 173.81 6.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -49.5 -51.07 38.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 1.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 40.2 m-70 -107.98 -139.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 1.0 109.59 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.2 m -125.78 104.76 8.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 1.0 110.449 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.823 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -66.78 166.5 13.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 1.0 109.974 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 81' ' ' ALA . 10.9 m -61.5 -67.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 1.0 108.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.3 mm? -48.24 -22.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.789 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.52 -70.53 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 1.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.538 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 51.1 t -50.54 -58.67 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 1.0 108.306 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -41.42 -28.19 0.11 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.797 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 2.4 t -58.67 -46.34 87.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 1.0 110.015 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -71.94 -39.3 69.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 1.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.666 HG11 HD12 ' A' ' 97' ' ' LEU . 72.5 t -53.96 -44.69 62.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 1.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.875 HG21 HG21 ' A' ' 98' ' ' THR . 24.2 t -54.75 -28.9 20.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 1.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.09 12.22 10.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 1.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 86' ' ' VAL . 0.6 OUTLIER -123.37 -41.63 2.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 1.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 93' ' ' LEU . 3.3 tttt -124.38 78.25 61.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.45 -15.92 4.57 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.25 3.3 . . . . 1.0 109.627 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.86 30.03 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.076 . . . . 1.0 110.28 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.786 HD22 ' HG ' ' A' ' 97' ' ' LEU . 77.7 mt -109.03 -60.39 1.76 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 1.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt 51.65 -92.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 93' ' ' LEU . 82.2 mttt -104.29 40.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 1.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.553 ' C ' HD23 ' A' ' 97' ' ' LEU . 73.7 m-20 -108.44 -49.89 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 1.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.786 ' HG ' HD22 ' A' ' 93' ' ' LEU . 6.5 mt -108.17 -10.05 15.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 1.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.875 HG21 HG21 ' A' ' 87' ' ' VAL . 5.5 p -140.13 38.43 1.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 1.0 110.399 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -102.36 127.99 9.4 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 1.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 73.4 m -70.14 -30.16 67.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.295 -1.002 . . . . 1.0 108.295 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -146.25 169.6 18.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 1.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 106' ' ' HIS . 39.6 mttt 45.11 49.51 9.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 1.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.9 p -132.18 -166.85 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.19 2.75 51.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 1.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.419 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -117.62 -53.63 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 1.0 108.283 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 102' ' ' LYS . 88.6 m-70 -115.29 81.64 8.5 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.756 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 53.4 Cg_exo . . . . . 0 N--CA 1.446 -1.269 0 C-N-CA 124.368 3.378 . . . . 1.0 109.573 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.894 ' O1D' HG13 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.608 HMD2 ' CGD' ' A' ' 251' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.538 HMC2 ' HB2' ' A' ' 82' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.837 HMC2 HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 122.078 0.942 . . . . 1.0 109.334 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.518 ' HG2' ' CMA' ' A' ' 233' ' ' HEM . 41.2 Cg_endo -67.76 147.76 76.03 Favored 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.261 3.308 . . . . 1.0 109.613 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 2' ' ' PRO . . . -38.65 119.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 1.0 109.307 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.59 120.35 51.81 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 1.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -74.94 125.5 9.4 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.282 3.321 . . . . 1.0 109.603 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 6' ' ' ASP . 15.0 p-10 -85.11 8.99 16.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 1.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.92 94.8 31.25 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 1.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.686 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 10.4 Cg_exo -39.42 142.62 0.4 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.274 3.316 . . . . 1.0 109.594 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.562 HG23 HBD2 ' A' ' 233' ' ' HEM . 0.0 OUTLIER -107.88 148.28 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 1.0 109.259 -179.834 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.7 142.04 29.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 1.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.722 HG22 ' CGD' ' A' ' 233' ' ' HEM . 49.1 t -119.85 68.0 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 1.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 80.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 1.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' VAL . . . -56.01 -110.14 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.525 1.141 . . . . 1.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.595 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -80.91 -65.81 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 1.0 110.011 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.64 -60.71 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 1.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.02 134.56 56.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 1.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.2 m -98.16 133.42 42.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 110.408 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.0 t -135.95 128.35 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 1.0 109.354 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.98 135.33 48.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 1.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.726 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 19.9 t80 -111.99 126.12 29.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 1.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.761 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 30.4 Cg_endo -88.51 138.93 3.95 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.32 3.347 . . . . 1.0 109.575 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -87.47 -33.13 19.13 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.145 0.903 . . . . 1.0 109.737 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.926 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -48.57 -54.93 22.15 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 1.0 109.275 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.926 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 28.7 Cg_exo -64.92 -5.82 11.47 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.358 3.372 . . . . 1.0 109.582 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.541 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 62.2 m80 -135.0 40.79 2.89 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 124.202 0.939 . . . . 1.0 109.757 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.45 7.39 42.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 1.0 110.321 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.67 -22.19 9.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.554 ' CG1' HG21 ' A' ' 32' ' ' THR . 20.1 t -85.4 122.31 38.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 1.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.439 ' O ' ' CB ' ' A' ' 32' ' ' THR . 1.2 mt-10 -45.67 137.73 5.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 110.299 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 31' ' ' VAL . 4.7 m -50.08 -58.73 4.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 1.0 108.322 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.439 HG13 ' N ' ' A' ' 32' ' ' THR . 14.4 p -37.88 -47.47 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 1.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.554 HG21 ' CG1' ' A' ' 28' ' ' VAL . 3.8 m -38.02 -49.06 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 1.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.606 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 1.6 m -97.27 -54.09 3.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 108.256 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -82.83 68.24 9.23 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.017 -0.992 . . . . 1.0 109.744 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.563 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 7.6 p80 -48.7 160.84 0.16 Allowed 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.148 0.905 . . . . 1.0 109.795 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.432 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -82.22 152.02 26.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 1.0 109.309 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 82.6 t -123.2 112.79 35.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 1.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 54.05 40.96 32.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 1.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.59 33.57 62.79 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.524 1.14 . . . . 1.0 111.054 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.68 103.09 6.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 1.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -44.8 129.2 7.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 1.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.525 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 37.6 t -142.75 158.78 43.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 1.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.525 ' CD1' ' C ' ' A' ' 42' ' ' SER . 41.1 m-85 -149.12 55.37 0.99 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.865 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.72 149.37 22.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 1.0 109.356 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -40.63 145.92 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 1.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.513 ' HA ' ' HAB' ' A' ' 251' ' ' HEM . 0.1 OUTLIER -48.77 -24.78 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 1.0 108.297 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 45' ' ' LYS . . . -117.27 66.66 0.33 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.524 1.14 . . . . 1.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.4 t -101.84 168.79 9.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 1.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.1 p -55.62 131.23 45.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 1.0 110.025 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.02 33.76 88.06 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.532 1.145 . . . . 1.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.425 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 13.4 m -134.37 -146.54 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -92.01 73.88 5.57 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.99 -1.005 . . . . 1.0 109.744 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -122.71 52.17 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 1.0 109.302 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -152.14 95.72 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 1.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.595 HD22 ' N ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -92.8 17.84 9.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -98.28 -50.09 4.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 1.0 110.428 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.537 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -39.62 -54.22 2.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 1.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 90.14 -35.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 1.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -148.05 115.76 6.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 1.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.75 160.32 9.57 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 1.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.83 -17.91 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 1.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 1.5 mptt -99.55 36.17 1.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 1.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 t -131.42 135.48 47.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 1.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.479 HD11 ' SG ' ' A' ' 46' ' ' CYS . 45.8 tp -99.09 37.62 1.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 1.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -129.86 -34.24 1.74 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.864 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -86.16 -5.0 59.28 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 118.961 -0.542 . . . . 1.0 109.878 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.3 m -116.6 3.36 7.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 1.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.953 HG21 ' O2D' ' A' ' 305' ' ' HEM . 2.4 t -102.97 -45.87 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 1.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.694 ' O ' ' C ' ' A' ' 70' ' ' ALA . 44.5 m80 -95.66 -81.48 0.4 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.792 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.985 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 10.36 92.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 1.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.416 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -89.84 22.4 3.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 1.0 110.342 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -101.55 -171.85 28.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 1.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -77.63 95.77 4.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 0.757 . . . . 1.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.985 HD11 ' CB ' ' A' ' 70' ' ' ALA . 73.4 mt -101.15 157.42 16.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 1.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 74' ' ' LEU . 1.5 mmtp -39.72 -33.96 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 1.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 35' ' ' HIS . 5.9 t60 -122.07 -143.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 109.578 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.406 ' H ' ' CG ' ' A' ' 76' ' ' HIS . 16.6 m -125.7 104.48 8.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 1.0 110.447 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.869 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.76 168.48 11.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 1.0 110.003 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 18.3 m -62.96 -66.21 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 1.0 108.268 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.6 OUTLIER -48.95 -22.48 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 1.0 109.271 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.766 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -63.54 -70.9 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 1.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.528 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 52.6 t -49.6 -61.95 1.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 1.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -38.2 -29.28 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.783 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 4.5 t -58.5 -49.05 78.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 1.0 110.02 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -68.3 -36.66 79.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 1.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 89' ' ' GLU . 93.1 t -58.83 -49.08 84.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.718 HG21 ' CG2' ' A' ' 98' ' ' THR . 6.6 t -54.9 -19.62 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 1.0 109.244 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -83.99 9.08 13.23 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.528 1.142 . . . . 1.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 86' ' ' VAL . 0.8 OUTLIER -122.17 -44.04 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 1.0 110.28 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 93' ' ' LEU . 5.2 ttmt -122.71 76.62 47.4 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 1.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -46.73 -21.28 1.36 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.327 3.352 . . . . 1.0 109.583 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.462 ' O ' HD22 ' A' ' 93' ' ' LEU . 6.0 pt-20 -87.6 18.19 4.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 1.0 110.287 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.508 HD13 ' CB ' ' A' ' 96' ' ' ASP . 3.9 mm? -123.34 8.61 9.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 1.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -52.44 65.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 1.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -89.19 35.84 0.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 1.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.508 ' CB ' HD13 ' A' ' 93' ' ' LEU . 0.7 OUTLIER -140.7 -47.36 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 1.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.416 HD21 HBA1 ' A' ' 282' ' ' HEM . 34.3 mt -94.0 -19.52 20.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 1.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.718 ' CG2' HG21 ' A' ' 87' ' ' VAL . 1.5 p -134.55 38.74 3.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 1.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.38 127.23 9.18 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 1.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 71.7 m -69.21 -30.98 69.26 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.83 166.77 24.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 1.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 46.61 44.76 13.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 1.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.14 -161.15 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 1.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -97.29 12.21 33.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 1.0 109.355 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.443 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.7 OUTLIER -127.21 -53.95 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 1.0 108.314 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -110.89 67.56 0.56 Allowed Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.767 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.443 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 43.6 Cg_endo . . . . . 0 N--CA 1.447 -1.219 0 C-N-CA 124.301 3.334 . . . . 1.0 109.615 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.726 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.976 HMD2 ' CGD' ' A' ' 251' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.55 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.953 ' O2D' HG21 ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.788 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 122.054 0.931 . . . . 1.0 109.283 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.788 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 88.5 Cg_exo -40.72 118.38 0.62 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.348 3.366 . . . . 1.0 109.603 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -41.28 123.27 2.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 1.0 109.358 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.85 122.5 79.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 1.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -72.75 123.41 8.97 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.294 3.329 . . . . 1.0 109.618 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.41 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 23.9 p-10 -87.06 11.0 14.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.43 87.64 21.17 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 1.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.611 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 16.8 Cg_exo -42.42 148.86 0.37 Allowed 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.316 3.344 . . . . 1.0 109.616 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.33 148.17 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 1.0 109.313 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.59 146.99 27.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 1.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.641 HG22 ' O2D' ' A' ' 233' ' ' HEM . 19.0 t -123.74 75.38 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 1.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.9 90.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 1.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.439 ' HA2' ' CGD' ' A' ' 305' ' ' HEM . . . -66.32 -147.53 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 1.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -60.19 3.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 1.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -148.51 47.23 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 1.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.39 111.44 1.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 1.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 91.9 m -79.47 129.12 34.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 1.0 110.396 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 t -140.01 126.54 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 1.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -107.79 134.23 51.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 1.0 111.017 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.635 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 23.8 t80 -110.86 123.41 35.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 1.0 110.956 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.785 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 32.6 Cg_endo -87.98 140.1 4.78 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 124.315 3.344 . . . . 1.0 109.564 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -87.3 -34.34 18.92 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.107 0.88 . . . . 1.0 109.754 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.937 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -48.28 -55.19 19.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 1.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.937 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 31.6 Cg_exo -62.78 -6.93 10.03 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.3 3.333 . . . . 1.0 109.599 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.476 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 69.9 m80 -132.9 40.78 3.21 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 124.161 0.913 . . . . 1.0 109.754 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.565 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 24.6 tt0 -101.18 6.43 43.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 1.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -122.03 -0.78 9.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 1.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.1 t -102.31 125.47 56.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 1.0 109.249 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -44.68 126.49 5.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 1.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.8 m -47.65 -60.64 2.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.127 . . . . 1.0 108.274 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.658 HG23 HD21 ' A' ' 36' ' ' LEU . 2.9 p -39.63 -52.06 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 1.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 31' ' ' VAL . 2.8 m -36.93 -35.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 1.0 110.417 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.569 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.5 OUTLIER -107.13 -51.44 2.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 1.0 108.285 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -84.84 65.53 9.2 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.751 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -43.06 159.83 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.606 0 O-C-N 124.178 0.924 . . . . 1.0 109.759 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.682 ' N ' HD23 ' A' ' 36' ' ' LEU . 1.4 mt -84.02 148.35 26.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.4 t -117.52 112.49 39.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 1.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 54.5 40.75 32.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 1.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.03 40.09 72.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.545 1.153 . . . . 1.0 111.044 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -127.7 113.56 16.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 1.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.85 98.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 1.0 110.318 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -126.21 157.35 38.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 1.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -139.21 54.08 1.72 Allowed 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.041 -0.981 . . . . 1.0 109.804 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.66 140.57 30.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 1.0 109.335 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.34 145.51 47.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 1.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 1.48 ' SG ' ' CAB' ' A' ' 251' ' ' HEM . 0.1 OUTLIER -48.83 174.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 1.0 108.276 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.57 47.98 56.46 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.472 1.107 . . . . 1.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.0 t -115.08 167.58 10.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 1.0 109.957 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 t -64.67 130.3 43.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 1.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' O ' ' HAC' ' A' ' 251' ' ' HEM . . . 70.2 41.89 68.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 1.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.406 ' SG ' ' C ' ' A' ' 50' ' ' GLY . 17.6 m -150.81 -145.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.323 -0.992 . . . . 1.0 108.323 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -88.16 96.81 10.68 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.99 -1.004 . . . . 1.0 109.791 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -146.45 53.51 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 1.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.67 95.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 1.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.04 19.27 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 1.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.05 -6.23 28.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 1.0 110.395 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.55 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -84.74 -50.85 7.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 1.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.55 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 91.08 -27.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 1.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -155.1 136.32 13.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 1.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 137.01 178.71 16.05 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 1.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -84.01 13.27 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 0.744 . . . . 1.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -128.54 35.58 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 1.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -133.9 147.78 51.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 1.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.632 HD23 ' O2D' ' A' ' 305' ' ' HEM . 35.7 tp -105.91 40.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 1.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.517 ' CD1' ' O1A' ' A' ' 305' ' ' HEM . 5.7 t80 -133.2 -37.16 0.98 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.842 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -86.87 1.39 52.65 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.89 -0.576 . . . . 1.0 109.798 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.477 HG12 ' O1A' ' A' ' 251' ' ' HEM . 11.1 m -123.0 0.45 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 1.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -102.43 -45.26 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 1.0 109.245 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.682 ' O ' ' C ' ' A' ' 70' ' ' ALA . 35.7 m80 -96.2 -81.19 0.41 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.037 -0.983 . . . . 1.0 109.773 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 1.066 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 13.39 90.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 1.0 109.325 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.417 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -91.55 21.41 4.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 1.0 110.315 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -101.86 -161.33 26.71 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 1.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.37 102.69 12.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 1.0 110.308 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.066 HD11 ' CB ' ' A' ' 70' ' ' ALA . 59.4 mt -110.97 171.14 7.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 1.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -50.92 37.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 1.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -108.15 -139.7 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 1.0 109.609 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.2 m -125.96 104.68 8.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 1.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.861 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -66.22 166.6 11.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 1.0 110.061 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 81' ' ' ALA . 9.0 m -61.52 -66.16 0.58 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 1.0 108.262 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -48.73 -22.24 0.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 1.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.789 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -65.45 -71.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 1.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.498 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 54.0 t -49.09 -65.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 1.0 108.257 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -34.41 -35.58 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.988 -1.006 . . . . 1.0 109.796 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 1.3 t -53.36 -50.75 64.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 1.0 110.004 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.59 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.8 mmtm -66.2 -37.32 85.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 1.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.535 ' CG1' ' CD1' ' A' ' 97' ' ' LEU . 91.3 t -59.35 -52.09 64.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 1.0 109.258 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.494 HG21 HG23 ' A' ' 98' ' ' THR . 3.0 t -54.35 -19.85 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 1.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -82.86 8.4 12.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 1.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.412 ' C ' ' HD3' ' A' ' 91' ' ' PRO . 1.9 tt0 -121.65 -42.87 2.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 1.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.446 ' HG2' HD13 ' A' ' 93' ' ' LEU . 0.3 OUTLIER -121.65 75.63 35.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.412 ' HD3' ' C ' ' A' ' 89' ' ' GLU . 72.5 Cg_exo -45.84 -21.83 1.08 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.295 3.33 . . . . 1.0 109.627 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.48 ' HG3' HD12 ' A' ' 93' ' ' LEU . 13.3 pt-20 -85.01 20.14 1.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 110.323 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.48 HD12 ' HG3' ' A' ' 92' ' ' GLU . 5.9 mp -130.81 15.09 5.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 1.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -56.04 -56.96 14.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 1.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.11 36.21 0.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 1.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.0 -45.75 1.03 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 1.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.535 ' CD1' ' CG1' ' A' ' 86' ' ' VAL . 32.6 mt -94.32 -33.33 13.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 1.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.494 HG23 HG21 ' A' ' 87' ' ' VAL . 13.4 p -124.16 44.96 2.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 110.43 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.25 125.8 8.7 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.139 . . . . 1.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.3 m -70.28 -30.19 67.14 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.345 -0.983 . . . . 1.0 108.345 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.8 167.34 22.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 1.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.36 44.75 1.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 1.0 109.262 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.426 ' OG ' ' N ' ' A' ' 104' ' ' LYS . 3.1 p -119.56 -151.73 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 1.0 110.027 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -106.43 16.88 24.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 1.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.435 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -133.83 -52.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 1.0 108.272 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -111.67 66.4 0.68 Allowed Pre-proline 0 CA--C 1.54 0.569 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.749 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.435 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 29.9 Cg_endo . . . . . 0 N--CA 1.447 -1.239 0 C-N-CA 124.301 3.334 . . . . 1.0 109.588 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.769 HMD2 HBD2 ' A' ' 233' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 1.48 ' CAB' ' SG ' ' A' ' 46' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.58 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.779 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.642 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 122.119 0.961 . . . . 1.0 109.26 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.642 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 84.1 Cg_endo -73.28 154.31 51.33 Favored 'Trans proline' 0 N--CA 1.447 -1.206 0 C-N-CA 124.291 3.328 . . . . 1.0 109.621 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.52 124.04 20.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 1.0 109.305 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.86 124.36 57.52 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 1.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.15 130.93 19.69 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.298 3.332 . . . . 1.0 109.584 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -84.03 7.25 19.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 1.0 109.274 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.9 148.12 42.68 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 1.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -78.62 137.91 14.84 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.35 3.367 . . . . 1.0 109.581 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.47 131.99 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 1.0 109.296 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.19 143.53 52.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.519 HG12 ' CGD' ' A' ' 305' ' ' HEM . 20.3 t -124.62 71.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 1.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 94.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.5 -150.01 1.47 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 1.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -62.42 1.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 0.719 . . . . 1.0 110.048 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -146.0 46.55 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.93 125.83 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 1.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.7 m -93.61 120.04 33.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 1.0 110.391 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.4 t -129.24 126.22 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 1.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -99.86 136.86 39.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 1.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.67 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 24.6 t80 -117.21 122.85 30.65 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 1.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.761 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 34.5 Cg_endo -88.25 138.83 4.13 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.305 3.337 . . . . 1.0 109.622 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -87.63 -33.49 18.81 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 124.137 0.898 . . . . 1.0 109.783 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.917 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.61 -54.79 20.15 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 1.0 109.295 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.917 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 39.7 Cg_exo -63.93 -5.5 9.26 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.316 3.344 . . . . 1.0 109.598 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.488 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 69.9 m80 -134.32 40.19 3.03 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.115 0.885 . . . . 1.0 109.77 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.13 6.33 44.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 1.0 110.286 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.43 -21.57 10.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 1.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.464 HG12 ' HB ' ' A' ' 32' ' ' THR . 18.3 t -85.52 120.94 36.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 1.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.49 137.05 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 1.0 110.258 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' HIS . 7.5 m -49.39 -61.44 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 1.0 108.292 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 32' ' ' THR . 4.2 p -40.14 -52.18 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 1.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.464 ' HB ' HG12 ' A' ' 28' ' ' VAL . 2.9 m -37.09 -32.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 1.0 110.383 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.61 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.9 OUTLIER -111.1 -54.72 2.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 1.0 108.32 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.4 m-70 -82.9 73.82 9.91 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 114.955 -1.021 . . . . 1.0 109.72 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.441 ' HB2' ' CD2' ' A' ' 76' ' ' HIS . 2.9 p80 -47.82 161.66 0.09 Allowed 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.148 0.905 . . . . 1.0 109.733 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.43 ' N ' HD23 ' A' ' 36' ' ' LEU . 5.1 mt -85.85 150.6 24.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 1.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.7 t -118.85 112.57 38.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 54.74 41.29 32.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 1.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.2 38.5 67.7 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 1.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.03 125.54 23.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 1.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -48.46 125.73 10.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.595 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 33.5 t -135.48 150.08 49.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 1.0 110.039 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 42' ' ' SER . 73.2 m-85 -156.97 46.53 0.41 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.01 -0.996 . . . . 1.0 109.802 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 45' ' ' LYS . . . -96.65 153.03 18.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 1.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.429 ' O ' HMC3 ' A' ' 251' ' ' HEM . 1.5 mmtp -39.89 148.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.427 ' HA ' ' HAB' ' A' ' 251' ' ' HEM . 0.1 OUTLIER -49.9 -32.91 15.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 108.332 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.21 65.97 0.31 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 1.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -98.45 168.26 10.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 0.777 . . . . 1.0 109.974 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.2 p -48.05 121.77 4.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 1.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.07 45.94 68.94 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 1.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.425 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 14.0 m -144.43 -145.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -92.66 73.92 5.03 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.766 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -126.73 53.89 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 1.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -159.39 94.55 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 1.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.791 HD21 ' HB3' ' A' ' 64' ' ' LEU . 4.2 mm? -90.56 15.32 11.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 1.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.8 m -72.19 -19.82 61.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 1.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.61 161.05 14.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 1.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.574 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 50.9 tttt -101.35 -4.3 27.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 1.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.67 132.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 1.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 155.95 157.4 8.27 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 1.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.74 -16.88 12.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 0.727 . . . . 1.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -108.95 39.31 2.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 1.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 t -134.47 139.47 45.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 1.0 109.982 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.791 ' HB3' HD21 ' A' ' 55' ' ' LEU . 44.4 tp -99.03 37.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 1.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 3.6 t80 -129.89 -34.53 1.71 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.962 -1.017 . . . . 1.0 109.849 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.45 ' CD2' ' O1A' ' A' ' 251' ' ' HEM . 82.6 t80 -87.57 -1.56 58.02 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 118.871 -0.585 . . . . 1.0 109.799 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.3 m -119.59 5.06 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 1.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -106.19 -42.92 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 1.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.684 ' O ' ' C ' ' A' ' 70' ' ' ALA . 36.3 m80 -98.91 -82.25 0.44 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.035 -0.984 . . . . 1.0 109.736 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.918 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 12.98 90.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 1.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.67 28.1 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 1.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.94 -166.92 20.68 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 1.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -78.43 102.52 7.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 0.793 . . . . 1.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.918 HD11 ' CB ' ' A' ' 70' ' ' ALA . 82.0 mt -110.0 157.59 19.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 1.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.71 -31.21 1.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 1.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.441 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 19.9 m80 -122.17 -142.46 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 1.0 109.553 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 28.4 m -128.99 104.76 7.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 1.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.87 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -69.12 166.73 17.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 1.0 109.985 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.412 ' C ' ' N ' ' A' ' 81' ' ' ALA . 6.1 m -62.15 -66.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 1.0 108.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -48.18 -23.05 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 1.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.784 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.05 -69.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 1.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.46 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 42.1 t -53.18 -62.54 1.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 1.0 108.313 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -37.95 -29.25 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.745 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 82' ' ' CYS . 3.1 p -58.2 -52.09 67.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 1.0 110.016 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 82' ' ' CYS . 0.1 OUTLIER -66.38 -36.66 83.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 1.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.567 HG11 ' CD1' ' A' ' 97' ' ' LEU . 54.6 t -54.0 -40.42 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 1.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.843 HG22 HD11 ' A' ' 93' ' ' LEU . 29.4 t -54.65 -28.48 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 1.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.92 13.11 9.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 1.0 109.255 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 86' ' ' VAL . 1.1 tp10 -125.01 -41.59 2.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.88 77.1 75.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 1.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.408 ' HD3' ' C ' ' A' ' 89' ' ' GLU . 32.4 Cg_exo -56.54 -12.72 9.0 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.335 3.357 . . . . 1.0 109.584 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -86.93 30.06 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 110.294 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.948 HD12 ' N ' ' A' ' 94' ' ' LYS . 1.8 pp -114.41 -51.81 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 1.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.948 ' N ' HD12 ' A' ' 93' ' ' LEU . 0.0 OUTLIER 49.3 -91.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 1.0 109.339 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -105.49 41.82 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 1.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.486 ' HB2' ' CA ' ' A' ' 93' ' ' LEU . 7.6 m-20 -111.05 -38.92 4.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 1.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.567 ' CD1' HG11 ' A' ' 86' ' ' VAL . 18.4 mt -113.18 -11.53 13.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.6 p -144.27 40.84 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.0 110.376 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.2 128.06 9.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 1.0 110.997 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 79.3 m -70.17 -31.84 69.51 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.413 ' O ' ' CG ' ' A' ' 102' ' ' LYS . . . -140.56 173.85 11.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 1.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER 46.5 31.44 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 1.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.5 t -114.85 179.91 3.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 1.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.732 ' HZ3' ' CB ' ' A' ' 105' ' ' CYS . 0.0 OUTLIER -86.0 -3.25 58.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.732 ' CB ' ' HZ3' ' A' ' 104' ' ' LYS . 0.8 OUTLIER -103.73 -39.17 6.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 1.0 108.306 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.557 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 81.5 m-70 -130.08 51.04 6.77 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 114.952 -1.022 . . . . 1.0 109.767 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 106' ' ' HIS . 28.7 Cg_endo . . . . . 0 N--CA 1.447 -1.223 0 C-N-CA 124.326 3.351 . . . . 1.0 109.589 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.67 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.47 ' HHA' ' CBD' ' A' ' 251' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.608 HMA1 ' HD3' ' A' ' 104' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.79 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 122.079 0.942 . . . . 1.0 109.266 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.643 ' HG2' ' CMA' ' A' ' 233' ' ' HEM . 37.8 Cg_endo -62.88 125.76 16.64 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.292 3.328 . . . . 1.0 109.621 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -41.81 129.5 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 1.0 109.284 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.407 ' HB ' HBB2 ' A' ' 233' ' ' HEM . 12.6 p -42.8 128.4 3.13 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 1.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.689 ' HG2' ' ND1' ' A' ' 22' ' ' HIS . 25.7 Cg_endo -63.11 138.31 66.55 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.323 3.349 . . . . 1.0 109.573 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -94.96 25.42 4.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 1.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.486 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -152.63 146.82 18.56 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 1.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.486 ' HD2' ' CG ' ' A' ' 7' ' ' LYS . 57.1 Cg_endo -70.1 135.25 29.19 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.293 3.329 . . . . 1.0 109.64 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.7 m -104.39 144.37 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 1.0 109.262 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.52 140.82 44.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 1.0 110.289 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.1 t -121.21 69.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 1.0 109.311 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -43.62 127.22 4.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 1.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.46 ' HA2' ' CGD' ' A' ' 305' ' ' HEM . . . -114.61 -153.31 10.61 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.5 1.125 . . . . 1.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.476 ' HB3' ' CBA' ' A' ' 305' ' ' HEM . 0.1 OUTLIER -55.7 -71.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 1.0 110.047 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.57 43.43 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 1.0 110.238 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -161.83 137.66 7.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 1.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.6 m -99.47 130.82 45.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.0 110.411 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.5 t -133.27 126.62 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 1.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.64 130.02 51.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 1.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.75 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 22.3 t80 -111.06 124.2 33.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 111.023 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.732 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 33.7 Cg_endo -87.97 138.65 4.29 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.367 3.378 . . . . 1.0 109.561 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.689 ' ND1' ' HG2' ' A' ' 5' ' ' PRO . 7.7 m80 -88.06 -32.68 18.63 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 124.135 0.897 . . . . 1.0 109.767 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.9 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.84 -54.27 25.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 1.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.9 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 27.6 Cg_exo -65.47 -4.97 10.46 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.307 3.338 . . . . 1.0 109.58 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.566 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 69.5 m80 -133.7 38.84 3.22 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 124.104 0.877 . . . . 1.0 109.739 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.56 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 8.4 tt0 -100.3 6.73 44.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.0 110.275 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -116.06 -9.19 11.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 1.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.409 HG12 ' HB ' ' A' ' 32' ' ' THR . 20.3 t -99.27 125.1 52.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 1.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.96 136.67 11.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 1.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 34' ' ' HIS . 7.1 m -49.58 -61.52 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 1.0 108.326 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 32' ' ' THR . 3.4 p -40.31 -52.2 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' VAL . 3.1 m -37.05 -34.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 1.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.614 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.9 OUTLIER -108.35 -55.51 2.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 1.0 108.283 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.5 m-70 -82.1 74.79 9.05 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.957 -1.019 . . . . 1.0 109.713 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.413 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 3.5 p80 -48.47 161.64 0.12 Allowed 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.162 0.914 . . . . 1.0 109.78 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.52 155.36 21.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 1.0 109.34 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.7 t -120.73 113.54 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 1.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 57.21 41.65 26.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.22 33.5 70.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.568 1.168 . . . . 1.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -137.01 126.9 25.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 1.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -43.8 143.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 1.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.484 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -149.13 147.81 28.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 1.0 110.0 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.484 ' CD1' ' O ' ' A' ' 42' ' ' SER . 79.1 m-85 -154.72 43.1 0.49 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.019 -0.991 . . . . 1.0 109.818 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.13 148.41 22.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 109.336 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.95 144.23 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 1.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.41 ' HA ' ' HAB' ' A' ' 251' ' ' HEM . 0.1 OUTLIER -47.02 -32.18 3.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 1.0 108.3 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.25 63.86 0.28 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.549 1.156 . . . . 1.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.8 t -97.93 168.4 10.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 0.745 . . . . 1.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.5 t -54.55 133.11 46.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 1.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.12 37.32 94.28 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 1.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.9 m -136.31 -145.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.27 -1.011 . . . . 1.0 108.27 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -89.57 80.33 6.69 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.76 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -129.91 55.86 1.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 1.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.61 89.37 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 1.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.08 -17.17 61.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 1.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' ALA . 1.8 m -72.09 -33.35 67.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 110.366 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.523 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -39.54 -62.55 0.67 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 1.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 89.95 -35.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 1.0 109.347 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.72 125.35 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 1.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.21 -178.18 29.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.125 . . . . 1.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.93 15.57 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 1.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -135.87 39.47 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 1.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -134.68 149.29 50.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 1.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.627 HD23 ' CGD' ' A' ' 305' ' ' HEM . 39.8 tp -106.58 40.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -132.42 -37.29 1.08 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.967 -1.015 . . . . 1.0 109.829 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -86.58 -4.45 59.17 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 118.843 -0.599 . . . . 1.0 109.782 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.4 m -115.58 2.58 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 1.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.532 HG21 HBD2 ' A' ' 305' ' ' HEM . 2.3 t -100.47 -49.71 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 1.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.676 ' O ' ' C ' ' A' ' 70' ' ' ALA . 22.4 m80 -94.46 -79.7 0.42 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.76 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 1.043 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 14.56 90.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 1.0 109.275 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.37 21.8 5.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 1.0 110.33 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.72 -164.61 25.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 1.0 111.042 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.78 105.07 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.75 . . . . 1.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.043 HD11 ' CB ' ' A' ' 70' ' ' ALA . 74.7 mt -114.19 172.68 6.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 1.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -51.28 63.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 1.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.413 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 24.1 m-70 -107.33 -139.37 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 1.0 109.604 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.3 m -126.23 103.97 7.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.849 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -65.13 167.09 8.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 1.0 110.007 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 14.7 m -62.43 -66.15 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 1.0 108.322 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.76 -21.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 1.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.769 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -65.5 -70.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 1.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.501 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 51.2 t -50.13 -57.81 6.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 1.0 108.321 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.639 ' O ' HG23 ' A' ' 87' ' ' VAL . 11.7 m170 -42.46 -31.34 0.42 Allowed 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 114.979 -1.01 . . . . 1.0 109.791 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 0.8 OUTLIER -58.4 -47.0 85.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 1.0 110.005 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.43 -38.84 74.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.596 HG11 ' CD1' ' A' ' 97' ' ' LEU . 72.2 t -53.89 -37.63 34.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.132 . . . . 1.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 83' ' ' HIS . 79.5 t -55.18 -23.8 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 1.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.96 11.74 10.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -116.22 -38.08 3.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 1.0 110.314 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.414 ' N ' ' HD3' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -130.6 65.18 75.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 1.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.424 ' HD3' ' C ' ' A' ' 89' ' ' GLU . 63.5 Cg_exo -46.57 -21.89 1.54 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.337 3.358 . . . . 1.0 109.588 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -85.22 29.27 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 110.338 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.529 ' O ' ' C ' ' A' ' 94' ' ' LYS . 14.7 mt -135.04 -74.3 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.529 ' C ' ' O ' ' A' ' 93' ' ' LEU . 2.4 tttm 30.79 53.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 1.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.5 OUTLIER -175.87 -64.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 1.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.428 ' C ' HD23 ' A' ' 97' ' ' LEU . 0.8 OUTLIER -42.05 -28.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 1.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.596 ' CD1' HG11 ' A' ' 86' ' ' VAL . 12.1 mt -107.74 -26.77 10.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 1.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 95' ' ' LYS . 7.2 p -125.32 56.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 1.0 110.408 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -116.57 128.38 7.91 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 1.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.1 m -72.32 -31.54 65.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.32 -0.993 . . . . 1.0 108.32 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 106' ' ' HIS . . . -149.77 172.63 14.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 1.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 44.68 41.52 5.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 1.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.9 p -124.71 -162.39 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 1.0 109.961 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -94.3 8.72 40.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 1.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.448 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.6 OUTLIER -122.41 -53.23 1.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 1.0 108.321 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.4 ' O ' ' HA ' ' A' ' 101' ' ' ALA . 92.5 m-70 -112.28 65.79 0.78 Allowed Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.775 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.448 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 58.7 Cg_endo . . . . . 0 N--CA 1.448 -1.198 0 C-N-CA 124.334 3.356 . . . . 1.0 109.546 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.75 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.996 HMD1 ' CGD' ' A' ' 251' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.552 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.833 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.762 ' HB1' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 122.053 0.93 . . . . 1.0 109.309 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.762 ' CD ' ' HB1' ' A' ' 1' ' ' ALA . 11.4 Cg_exo -72.99 153.37 52.43 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.268 3.312 . . . . 1.0 109.597 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.94 121.66 15.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 1.0 109.286 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.1 p -62.94 121.4 68.44 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 1.0 109.306 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -76.2 125.46 8.54 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.336 3.357 . . . . 1.0 109.555 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.4 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 2.1 p30 -87.57 11.46 14.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 1.0 109.267 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.06 88.87 23.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.618 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 12.8 Cg_exo -41.2 144.01 0.67 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.344 3.362 . . . . 1.0 109.553 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.68 146.27 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 1.0 109.341 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.92 141.48 32.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 1.0 110.354 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 18' ' ' VAL . 13.4 t -118.45 79.3 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 1.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -65.61 98.44 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 1.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.61 -148.5 1.6 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 1.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -65.86 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 1.0 110.015 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -143.15 45.19 1.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 1.0 110.281 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.83 133.13 6.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 1.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.0 m -95.3 126.82 40.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 1.0 110.43 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 11' ' ' VAL . 40.5 t -132.69 125.99 53.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 1.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -105.48 134.56 48.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 1.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.631 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 19.2 t80 -113.22 124.46 31.42 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 1.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.752 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 34.2 Cg_endo -87.54 138.77 4.67 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.335 3.357 . . . . 1.0 109.59 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -87.18 -34.06 19.15 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 124.116 0.885 . . . . 1.0 109.736 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.927 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.74 -55.23 18.04 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 1.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.927 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 27.8 Cg_exo -64.57 -5.35 9.97 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.33 3.354 . . . . 1.0 109.609 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.419 ' ND1' ' CE1' ' A' ' 20' ' ' PHE . 72.6 m80 -134.39 40.16 3.02 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.149 0.906 . . . . 1.0 109.759 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.21 9.7 38.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -121.99 -3.2 9.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.4 t -102.5 124.62 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 1.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -43.7 127.23 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 1.0 110.307 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.4 m -45.74 -60.36 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 1.0 108.303 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.671 HG22 HD21 ' A' ' 36' ' ' LEU . 4.0 t -40.53 -51.86 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 1.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 31' ' ' VAL . 3.5 m -37.5 -31.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 110.372 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.569 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.5 OUTLIER -110.99 -50.89 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 1.0 108.323 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -85.88 73.8 10.28 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.746 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -50.45 160.33 0.41 Allowed 'General case' 0 CA--C 1.539 0.538 0 O-C-N 124.131 0.895 . . . . 1.0 109.739 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.752 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -83.65 152.34 24.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 1.0 109.311 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.8 t -122.03 111.66 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 1.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 52.39 40.62 29.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 1.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.82 33.21 62.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 1.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -129.27 109.27 10.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 1.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -45.28 122.06 3.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 1.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.424 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 12.0 t -135.17 158.43 44.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 1.0 109.997 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.446 ' CD2' ' HG2' ' A' ' 2' ' ' PRO . 75.9 m-85 -152.45 56.17 0.81 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.044 -0.98 . . . . 1.0 109.819 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.434 ' O ' HMC2 ' A' ' 251' ' ' HEM . . . -110.32 151.03 27.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 1.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.564 ' O ' HMC3 ' A' ' 251' ' ' HEM . 4.9 ttpt -53.31 153.32 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 1.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.9 m -53.44 -35.91 61.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 1.0 108.344 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.61 56.45 1.95 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.116 . . . . 1.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.8 t -104.91 166.83 10.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 1.0 109.965 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.1 p -51.66 121.38 6.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 1.0 109.99 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.447 ' O ' ' HAC' ' A' ' 251' ' ' HEM . . . 63.61 55.57 24.41 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.535 1.147 . . . . 1.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.1 m -149.3 -142.9 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.354 -0.98 . . . . 1.0 108.354 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -92.25 84.6 5.24 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.026 -0.988 . . . . 1.0 109.758 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 14.6 p-10 -132.64 61.27 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.34 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -159.94 98.04 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 1.0 109.341 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.571 HD21 ' HB3' ' A' ' 64' ' ' LEU . 3.6 mm? -91.04 15.86 10.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 1.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -105.4 -43.48 4.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 1.0 110.389 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.539 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -37.75 -55.91 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 1.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.539 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER 90.5 -37.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 1.0 109.279 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -153.83 134.54 13.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 1.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 140.01 -177.9 20.23 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 1.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -85.33 15.68 4.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 1.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -133.64 38.54 3.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 1.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 t -135.39 142.89 45.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 1.0 110.015 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.571 ' HB3' HD21 ' A' ' 55' ' ' LEU . 44.6 tp -102.46 39.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 1.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.431 ' CE2' ' HE2' ' A' ' 58' ' ' LYS . 5.5 t80 -131.73 -35.31 1.28 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.835 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -88.02 -1.15 57.82 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.933 -0.556 . . . . 1.0 109.817 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.2 m -119.0 2.0 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 1.0 109.29 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.604 HG11 ' O2D' ' A' ' 305' ' ' HEM . 2.2 t -100.75 -48.68 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 1.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.676 ' O ' ' C ' ' A' ' 70' ' ' ALA . 27.3 m80 -94.53 -79.86 0.41 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.737 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.968 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 13.94 87.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 1.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.418 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -89.26 21.48 3.25 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.49 1.119 . . . . 1.0 110.279 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.93 -168.85 26.18 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 1.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -77.75 104.11 8.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 1.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.968 HD11 ' CB ' ' A' ' 70' ' ' ALA . 69.2 mt -110.5 166.15 11.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 1.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.405 ' HB2' HAA2 ' A' ' 251' ' ' HEM . 0.0 OUTLIER -51.47 -31.38 23.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 1.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -124.0 -145.27 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.152 . . . . 1.0 109.589 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.7 m -124.36 104.89 9.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 1.0 110.403 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.829 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -68.8 166.51 17.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 1.0 109.988 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.41 ' C ' ' N ' ' A' ' 81' ' ' ALA . 17.4 m -61.53 -66.99 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 1.0 108.325 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -47.89 -22.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 1.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.804 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -63.82 -70.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 1.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.555 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 49.7 t -49.59 -59.7 3.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 1.0 108.296 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.808 ' O ' HG23 ' A' ' 87' ' ' VAL . 12.4 m170 -40.29 -28.01 0.05 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.049 -0.978 . . . . 1.0 109.775 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 4.6 t -65.27 -50.77 64.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 1.0 109.986 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.48 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -66.09 -38.96 89.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 1.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 44.4 t -55.85 -46.15 79.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 83' ' ' HIS . 69.6 t -55.6 -27.03 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 1.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -79.04 2.62 19.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 1.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.15 -46.73 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 1.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.46 ' O ' HD11 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -128.44 74.82 79.79 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -81.33 22.8 0.79 Allowed 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.309 3.339 . . . . 1.0 109.567 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.3 25.68 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 1.0 110.339 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.574 HD22 ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -123.06 -63.77 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 1.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 93' ' ' LEU . 10.4 tttt 70.09 -94.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 1.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.83 36.25 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 1.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.485 ' CB ' ' HB3' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -119.86 -41.21 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 1.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.574 ' HG ' HD22 ' A' ' 93' ' ' LEU . 10.7 mt -109.08 -25.26 10.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 1.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.601 HG21 HG21 ' A' ' 87' ' ' VAL . 3.9 p -129.17 36.69 4.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 1.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.09 130.67 10.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.109 . . . . 1.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 74.8 m -69.3 -29.86 67.81 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.298 -1.001 . . . . 1.0 108.298 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -140.0 173.13 11.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 1.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.6 mttt 44.31 46.41 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 1.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 71.7 p -129.99 -174.91 3.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 1.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -85.72 -6.24 59.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 1.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.1 m -104.51 -46.25 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 1.0 108.327 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -123.4 81.76 53.07 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 114.993 -1.003 . . . . 1.0 109.776 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo . . . . . 0 N--CA 1.447 -1.254 0 C-N-CA 124.336 3.357 . . . . 1.0 109.565 179.927 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.631 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.564 HMC3 ' O ' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.555 HMC2 ' HB2' ' A' ' 82' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.814 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.699 ' HB1' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 122.059 0.933 . . . . 1.0 109.325 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.699 ' CD ' ' HB1' ' A' ' 1' ' ' ALA . 8.0 Cg_exo -74.36 149.24 39.62 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.322 3.348 . . . . 1.0 109.619 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.56 122.12 16.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 1.0 109.291 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.9 p -58.85 121.79 57.11 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 1.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.38 125.51 9.12 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.338 3.359 . . . . 1.0 109.622 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.4 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 6.5 p-10 -87.67 11.79 14.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 1.0 109.344 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.28 88.18 22.24 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 1.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.591 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 12.2 Cg_exo -41.3 143.24 0.84 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.342 3.361 . . . . 1.0 109.601 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.32 147.85 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 109.317 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.38 142.87 31.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 1.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' VAL . 19.3 t -117.32 71.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 1.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -59.34 95.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 1.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.71 -146.51 0.7 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 1.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -65.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 1.0 110.007 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.91 44.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 1.0 110.248 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.39 132.94 7.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 1.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.7 m -97.61 121.21 39.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 1.0 110.394 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 11' ' ' VAL . 47.2 t -127.57 126.19 66.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 1.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.0 ptp -103.41 134.13 47.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.702 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 21.1 t80 -112.73 124.92 30.78 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 1.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.739 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 32.9 Cg_endo -87.59 138.38 4.49 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.385 3.39 . . . . 1.0 109.57 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -87.92 -32.62 18.83 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 124.159 0.912 . . . . 1.0 109.76 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.919 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -48.74 -55.0 22.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.919 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 27.0 Cg_exo -64.75 -5.49 10.52 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.305 3.337 . . . . 1.0 109.619 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.486 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 70.1 m80 -133.91 39.13 3.16 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 124.105 0.878 . . . . 1.0 109.771 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.5 6.1 44.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 1.0 110.296 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.15 -19.77 10.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 1.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -86.46 125.13 40.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 1.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.4 133.89 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 1.0 110.3 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' VAL . 8.2 m -48.85 -61.77 1.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 1.0 108.293 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' CYS . 2.6 t -39.9 -51.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 1.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' VAL . 2.3 m -37.39 -35.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 1.0 110.432 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.603 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.8 OUTLIER -107.43 -52.35 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 1.0 108.306 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -84.94 72.42 10.8 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.779 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.476 ' CD2' ' ND1' ' A' ' 76' ' ' HIS . 2.2 p80 -47.78 160.68 0.12 Allowed 'General case' 0 CA--C 1.54 0.567 0 O-C-N 124.13 0.894 . . . . 1.0 109.756 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.65 154.92 24.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 1.0 109.355 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.9 t -125.03 112.6 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 1.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 54.74 40.33 31.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 1.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.78 32.4 61.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 1.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.92 102.75 5.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 1.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -43.96 129.56 5.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.458 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 41.4 t -146.68 157.68 43.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 1.0 110.008 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 42' ' ' SER . 29.5 m-85 -143.32 56.77 1.38 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.827 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.529 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -96.93 149.23 22.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 1.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.562 ' O ' HMC3 ' A' ' 251' ' ' HEM . 17.5 tttt -40.01 149.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 1.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.555 ' HA ' ' HAB' ' A' ' 251' ' ' HEM . 0.1 OUTLIER -47.51 -38.06 13.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 1.0 108.29 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.32 63.85 0.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.1 . . . . 1.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.529 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 28.1 t -97.83 167.56 10.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 1.0 110.035 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' SER . 1.6 t -39.14 123.52 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 1.0 110.033 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.459 ' O ' ' HAC' ' A' ' 251' ' ' HEM . . . 58.06 55.31 31.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 1.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.439 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 14.2 m -146.13 -145.76 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.277 -1.009 . . . . 1.0 108.277 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -94.73 82.15 3.89 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.94 -1.027 . . . . 1.0 109.77 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -134.05 54.33 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 1.0 109.283 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -158.41 93.08 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 1.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.473 ' N ' HD12 ' A' ' 55' ' ' LEU . 5.2 mp -89.79 14.38 12.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 1.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.0 m -71.47 -20.82 62.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 1.0 110.436 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.97 161.67 14.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 1.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.443 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -101.83 -4.69 25.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 1.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -171.79 132.75 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 150.25 157.89 7.96 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 1.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.64 -27.27 48.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 0.776 . . . . 1.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 54' ' ' ASP . 0.5 OUTLIER -94.67 33.13 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 1.0 109.268 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.4 t -131.76 137.08 48.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 1.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.497 ' O ' ' CGD' ' A' ' 305' ' ' HEM . 48.2 tp -99.74 36.66 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.443 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 5.8 t80 -129.28 -34.71 1.83 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.949 -1.023 . . . . 1.0 109.814 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.621 ' O ' ' CD2' ' A' ' 66' ' ' TYR . 67.2 t80 -88.92 10.58 20.84 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.895 -0.574 . . . . 1.0 109.819 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.8 m -131.43 9.34 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 1.0 109.31 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.922 HG21 ' O2D' ' A' ' 305' ' ' HEM . 3.1 t -115.74 -49.02 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 1.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.697 ' O ' ' C ' ' A' ' 70' ' ' ALA . 48.4 m80 -89.48 -63.77 1.24 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 114.944 -1.026 . . . . 1.0 109.76 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.957 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . -6.19 109.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 1.0 109.307 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.457 ' NH2' HBB2 ' A' ' 305' ' ' HEM . 0.3 OUTLIER -103.83 17.5 23.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 1.0 110.27 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.54 -179.47 32.27 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.528 1.142 . . . . 1.0 111.031 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -71.55 94.23 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 1.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.957 HD11 ' CB ' ' A' ' 70' ' ' ALA . 44.7 mt -98.12 155.75 16.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 1.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -43.03 -28.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 1.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.476 ' ND1' ' CD2' ' A' ' 35' ' ' HIS . 6.6 m170 -124.87 -142.63 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 1.0 109.621 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.9 m -131.18 106.24 8.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 110.38 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.807 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.01 166.47 13.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 1.0 109.968 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.4 ' C ' ' N ' ' A' ' 81' ' ' ALA . 13.8 m -62.17 -67.1 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 1.0 108.288 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -48.0 -23.26 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 1.0 109.338 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.19 -70.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 1.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.427 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 46.0 t -50.51 -55.52 15.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 1.0 108.328 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.848 ' O ' HG23 ' A' ' 87' ' ' VAL . 9.9 m170 -45.25 -25.65 0.4 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.975 -1.011 . . . . 1.0 109.724 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 2.5 t -61.18 -48.94 79.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 109.999 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 3.9 mmpt? -69.44 -37.14 77.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 1.0 109.272 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.51 HG11 ' CD1' ' A' ' 97' ' ' LEU . 85.4 t -56.57 -42.14 75.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 1.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 83' ' ' HIS . 98.2 t -54.47 -23.06 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -86.95 13.34 9.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 1.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.432 ' C ' ' HD3' ' A' ' 91' ' ' PRO . 0.1 OUTLIER -116.71 -36.8 3.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 1.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.576 ' HB3' HD12 ' A' ' 93' ' ' LEU . 3.2 tttt -130.5 65.85 77.01 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 1.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.432 ' HD3' ' C ' ' A' ' 89' ' ' GLU . 56.7 Cg_exo -47.54 -21.38 2.16 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.346 3.364 . . . . 1.0 109.583 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -85.07 28.38 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 1.0 110.323 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.576 HD12 ' HB3' ' A' ' 90' ' ' LYS . 32.5 mt -133.9 -74.68 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 1.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.55 ' C ' ' O ' ' A' ' 93' ' ' LEU . 3.9 ttmt 28.84 62.46 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 1.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.515 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.1 OUTLIER 177.31 -60.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 1.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.41 -20.39 4.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 1.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.51 ' CD1' HG11 ' A' ' 86' ' ' VAL . 17.6 mt -111.59 -33.38 6.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.623 HG21 HG21 ' A' ' 87' ' ' VAL . 3.8 p -127.48 57.02 1.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 1.0 110.379 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -116.97 126.55 7.02 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 1.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.9 m -70.75 -30.21 66.66 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -147.67 163.66 35.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 1.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt 50.8 57.09 7.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 1.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.9 p -140.97 -153.56 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 1.0 109.971 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.61 16.11 24.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 1.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.23 -51.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.179 . . . . 1.0 108.29 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -118.72 82.65 20.64 Favored Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.755 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo . . . . . 0 N--CA 1.448 -1.204 0 C-N-CA 124.326 3.351 . . . . 1.0 109.598 179.867 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.702 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.562 HMC3 ' O ' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.585 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.922 ' O2D' HG21 ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.76 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 122.067 0.937 . . . . 1.0 109.328 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.76 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 61.1 Cg_endo -67.02 144.39 69.69 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.334 3.356 . . . . 1.0 109.592 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.33 127.93 34.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 1.0 109.31 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.5 p -46.77 121.83 6.91 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 1.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -75.95 127.02 9.75 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.343 3.362 . . . . 1.0 109.589 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 12.4 p-10 -87.98 11.06 16.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 1.0 109.313 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 92.06 27.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 1.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.699 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 12.6 Cg_exo -40.94 140.69 1.1 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.278 3.319 . . . . 1.0 109.614 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.02 147.32 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.0 109.284 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' O ' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -82.05 141.53 33.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 110.264 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.954 HG22 ' CGD' ' A' ' 233' ' ' HEM . 33.9 t -119.87 68.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 1.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.55 80.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 1.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' VAL . . . -55.73 -109.87 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.113 . . . . 1.0 111.036 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.69 -65.37 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 1.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.97 -60.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 1.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 137.02 57.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 1.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.3 m -97.84 133.61 42.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 1.0 110.38 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.9 t -136.03 127.79 44.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 1.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.5 130.84 55.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 1.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.741 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 19.5 t80 -106.41 125.65 32.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 1.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.768 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 29.8 Cg_endo -88.85 139.42 3.83 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.29 3.326 . . . . 1.0 109.626 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -87.54 -33.6 18.88 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 124.164 0.915 . . . . 1.0 109.787 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.909 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -48.23 -54.8 22.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.909 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 38.3 Cg_exo -63.85 -6.35 10.77 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.357 3.372 . . . . 1.0 109.597 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.458 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 65.1 m80 -134.13 41.26 2.99 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 124.185 0.928 . . . . 1.0 109.793 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.24 5.84 46.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 1.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.98 -21.81 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 1.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.6 t -84.89 125.26 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 1.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.429 ' HB2' ' OG1' ' A' ' 32' ' ' THR . 6.9 mm-40 -50.11 137.73 17.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 1.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' VAL . 4.0 m -50.94 -58.33 6.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 1.0 108.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' CYS . 3.6 p -37.33 -50.02 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 1.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 31' ' ' VAL . 1.9 m -35.96 -53.11 0.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 1.0 110.363 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.589 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 1.9 m -92.29 -54.72 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 1.0 108.288 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.403 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.1 m-70 -82.08 67.95 8.28 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.768 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -48.14 160.37 0.15 Allowed 'General case' 0 CA--C 1.539 0.537 0 O-C-N 124.191 0.932 . . . . 1.0 109.801 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.23 150.96 28.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 1.0 109.278 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.1 t -122.85 112.67 34.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 1.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t0 54.09 40.78 31.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 1.0 109.254 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.11 34.69 62.68 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 1.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -133.77 102.13 5.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 1.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.2 128.19 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 1.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.461 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 30.9 t -140.97 156.47 46.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 1.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 42' ' ' SER . 49.4 m-85 -147.16 56.44 1.12 Allowed 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.834 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.47 145.51 26.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.409 ' C ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -39.84 144.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 1.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.469 ' HA ' ' HAB' ' A' ' 251' ' ' HEM . 0.1 OUTLIER -49.35 -24.86 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 1.0 108.282 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 45' ' ' LYS . . . -116.07 65.17 0.32 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 1.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -105.53 168.88 8.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.76 . . . . 1.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.0 m -59.31 135.36 57.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 1.0 109.997 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.75 38.98 96.99 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 1.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.441 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 13.8 m -144.25 -145.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.32 -0.993 . . . . 1.0 108.32 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -92.71 78.72 4.81 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.767 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -125.28 57.27 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 1.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.442 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.4 OUTLIER -153.04 91.42 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 1.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.47 -10.29 56.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 1.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 m -71.63 -15.75 62.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 1.0 110.356 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.02 161.33 17.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 1.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.558 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -110.37 -15.45 13.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 1.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -174.12 138.59 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 1.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 146.3 157.26 7.24 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.595 1.185 . . . . 1.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -18.38 11.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 0.791 . . . . 1.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 2.6 mttp -105.25 35.02 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 1.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -131.75 134.19 45.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.158 . . . . 1.0 110.013 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.407 HD11 ' SG ' ' A' ' 46' ' ' CYS . 42.0 tp -95.59 34.42 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 1.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 2.3 t80 -127.1 -33.33 2.43 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.974 -1.012 . . . . 1.0 109.829 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -87.61 -2.75 58.83 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 118.882 -0.58 . . . . 1.0 109.84 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.3 m -119.57 5.24 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 1.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 t -106.17 -44.17 7.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 1.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.694 ' O ' ' C ' ' A' ' 70' ' ' ALA . 47.0 m80 -97.15 -81.72 0.42 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.044 -0.98 . . . . 1.0 109.795 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.977 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 10.73 90.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 1.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.16 24.78 2.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 1.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.05 -165.49 24.92 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 1.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -81.56 98.62 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 1.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.977 HD11 ' CB ' ' A' ' 70' ' ' ALA . 75.9 mt -105.36 157.93 16.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -42.87 -36.19 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -117.41 -142.14 0.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 1.0 109.623 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.5 m -128.7 103.97 7.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 1.0 110.434 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.876 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.41 167.36 12.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 1.0 110.029 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 12.8 m -62.14 -65.87 0.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 1.0 108.3 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.6 OUTLIER -49.5 -22.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 1.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.777 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.8 -69.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 85' ' ' LYS . 51.5 t -51.15 -60.57 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 1.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.412 ' O ' HG23 ' A' ' 87' ' ' VAL . 11.8 m170 -39.78 -33.01 0.17 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.743 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.09 -46.73 84.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 1.0 110.022 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 82' ' ' CYS . 0.8 OUTLIER -68.75 -36.82 78.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 1.0 109.283 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.536 HG11 ' CD1' ' A' ' 97' ' ' LEU . 92.8 t -59.2 -41.87 85.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 1.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 83' ' ' HIS . 32.9 t -54.88 -25.03 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 1.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.92 12.35 9.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 1.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 86' ' ' VAL . 4.2 tt0 -115.87 -36.3 4.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 1.0 110.249 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' N ' ' HD3' ' A' ' 91' ' ' PRO . 3.3 tttt -131.85 66.15 77.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 1.0 109.256 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' A' ' 90' ' ' LYS . 53.1 Cg_exo -48.66 -20.61 2.83 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.268 3.312 . . . . 1.0 109.626 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.76 28.82 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 1.0 110.273 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.505 ' O ' ' C ' ' A' ' 94' ' ' LYS . 15.3 mt -135.33 -74.26 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 1.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER 31.12 68.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 1.0 109.271 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 98' ' ' THR . 0.5 OUTLIER 171.2 -65.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 1.0 109.328 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.46 ' C ' HD23 ' A' ' 97' ' ' LEU . 1.6 t70 -39.42 -30.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.536 ' CD1' HG11 ' A' ' 86' ' ' VAL . 10.3 mt -106.58 -30.17 9.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 1.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.462 ' O ' ' O ' ' A' ' 95' ' ' LYS . 44.2 p -109.8 -143.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 1.0 110.412 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 64.18 133.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.52 1.137 . . . . 1.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.506 ' SG ' ' CMB' ' A' ' 305' ' ' HEM . 83.4 m -74.58 -29.92 61.51 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.286 -1.005 . . . . 1.0 108.286 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.86 166.52 22.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 1.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.29 44.79 24.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 1.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.2 p -130.08 -179.58 5.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 1.0 110.028 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.73 3.59 50.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 1.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.443 ' C ' ' CD ' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -109.06 -49.54 3.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 1.0 108.3 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.48 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 90.0 m-70 -118.05 55.59 2.16 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 115.068 -0.969 . . . . 1.0 109.771 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 106' ' ' HIS . 38.4 Cg_endo . . . . . 0 N--CA 1.447 -1.215 0 C-N-CA 124.359 3.372 . . . . 1.0 109.56 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.954 ' CGD' HG22 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.594 HMD2 ' CGD' ' A' ' 251' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.588 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.809 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.523 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 122.128 0.966 . . . . 1.0 109.272 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.57 ' HG2' HMB3 ' A' ' 233' ' ' HEM . 9.8 Cg_endo -48.92 155.77 2.44 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.324 3.35 . . . . 1.0 109.593 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.55 118.85 17.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 1.0 109.344 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.587 HG11 ' OE2' ' A' ' 26' ' ' GLU . 9.6 p -62.49 123.29 78.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 1.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -72.03 126.78 12.15 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.286 3.324 . . . . 1.0 109.617 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -76.62 -1.84 29.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 1.0 109.282 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -110.9 148.46 38.66 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 1.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -79.37 142.13 16.44 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.3 3.333 . . . . 1.0 109.584 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.484 HG11 ' CGA' ' A' ' 233' ' ' HEM . 1.4 m -105.05 142.72 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 1.0 109.366 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.49 141.03 34.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 1.0 110.273 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.685 HG13 ' O2D' ' A' ' 233' ' ' HEM . 20.4 t -122.46 69.53 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -52.65 103.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 1.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.17 -149.61 7.79 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.539 1.149 . . . . 1.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.477 ' HB3' ' CAA' ' A' ' 305' ' ' HEM . 0.0 OUTLIER -54.7 -67.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 1.0 110.0 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.04 43.74 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 110.25 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.27 137.56 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 1.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.5 m -98.53 128.11 44.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 1.0 110.41 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.7 t -131.28 125.92 57.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 1.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -101.88 130.44 48.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 1.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.68 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 23.3 t80 -112.5 123.01 34.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 1.0 110.996 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.701 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 35.1 Cg_endo -87.22 137.49 4.41 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.345 3.364 . . . . 1.0 109.56 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -88.03 -32.84 18.59 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.189 0.931 . . . . 1.0 109.753 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.946 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.53 -55.19 17.6 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 1.0 109.294 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.946 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 24.3 Cg_exo -64.94 -4.6 9.13 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.315 3.343 . . . . 1.0 109.622 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.573 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 70.6 m80 -133.47 38.39 3.28 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.178 0.924 . . . . 1.0 109.756 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.587 ' OE2' HG11 ' A' ' 4' ' ' VAL . 6.6 tt0 -102.08 8.4 40.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.0 110.307 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.56 -5.64 10.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 1.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.8 t -103.71 117.23 48.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 1.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -39.18 137.67 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 1.0 110.276 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' HIS . 5.3 m -51.93 -61.91 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 1.0 108.289 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.487 HG13 ' H ' ' A' ' 32' ' ' THR . 2.9 p -38.73 -55.71 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 1.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.487 ' H ' HG13 ' A' ' 31' ' ' VAL . 7.9 m -34.77 -35.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.0 110.394 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.592 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.9 OUTLIER -106.16 -54.79 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 1.0 108.322 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.2 m-70 -83.33 68.66 9.77 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.986 -1.006 . . . . 1.0 109.776 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.538 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 2.1 p80 -40.39 159.18 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.1 0.875 . . . . 1.0 109.75 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.79 152.17 24.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 1.0 109.31 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.3 t -121.58 111.71 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 1.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.16 40.47 31.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 1.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.42 33.42 66.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 1.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.18 101.99 5.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 1.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -43.71 130.48 5.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 1.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.414 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 10.6 t -146.03 154.2 41.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.996 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.449 ' CG ' ' HG3' ' A' ' 2' ' ' PRO . 23.4 m-85 -140.39 54.75 1.61 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.891 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.13 145.3 24.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 1.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.403 ' C ' ' N ' ' A' ' 47' ' ' GLY . 2.5 ttmt -39.84 143.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 1.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.545 ' HA ' ' HAB' ' A' ' 251' ' ' HEM . 0.1 OUTLIER -47.84 -27.06 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 1.0 108.299 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 45' ' ' LYS . . . -118.38 67.39 0.35 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.437 1.086 . . . . 1.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.2 t -107.04 165.87 11.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 1.0 109.978 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 m -51.73 136.06 28.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 1.0 110.041 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.41 41.84 98.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.416 1.072 . . . . 1.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.5 m -143.77 -143.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -93.19 82.79 4.56 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.064 -0.971 . . . . 1.0 109.736 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -129.5 55.67 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 109.273 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.5 OUTLIER -153.65 97.9 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 1.0 109.268 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.474 HD21 ' O1D' ' A' ' 305' ' ' HEM . 5.8 mt -95.08 18.65 11.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 1.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -108.56 -46.99 3.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 1.0 110.394 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.528 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -37.78 -59.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 1.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.1 OUTLIER 90.33 -37.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 1.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -143.14 128.63 19.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 1.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 145.22 178.44 20.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.477 1.111 . . . . 1.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -88.94 20.81 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 0.788 . . . . 1.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 11.1 mtmt -137.38 46.11 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 1.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 t -136.75 148.14 47.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 1.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.505 HD23 ' CGD' ' A' ' 305' ' ' HEM . 47.3 tp -105.32 40.3 1.56 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 1.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -132.77 -36.29 1.06 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.853 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.401 ' O ' ' CD2' ' A' ' 66' ' ' TYR . 81.2 t80 -88.25 2.19 52.86 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 118.883 -0.58 . . . . 1.0 109.813 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.2 m -121.77 5.12 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 1.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.1 t -105.61 -49.42 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 1.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.68 ' O ' ' C ' ' A' ' 70' ' ' ALA . 29.2 m80 -92.71 -79.63 0.39 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.997 -1.001 . . . . 1.0 109.721 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.926 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 13.08 90.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 1.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.46 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -90.54 26.72 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 1.0 110.335 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.27 -170.35 19.81 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 1.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.54 108.53 7.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 0.727 . . . . 1.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.926 HD11 ' CB ' ' A' ' 70' ' ' ALA . 80.1 mt -116.64 155.57 28.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 1.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' HB2' HAA2 ' A' ' 251' ' ' HEM . 10.1 mtmt -39.98 -30.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 1.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.538 ' CD2' ' HB3' ' A' ' 35' ' ' HIS . 12.0 t60 -126.17 -141.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 1.0 109.649 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.407 ' H ' ' CG ' ' A' ' 76' ' ' HIS . 6.4 m -128.24 104.34 7.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 1.0 110.385 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.842 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -66.58 166.18 13.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 109.995 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.413 ' C ' ' N ' ' A' ' 81' ' ' ALA . 12.2 m -60.47 -67.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.0 108.272 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.68 -22.52 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 1.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.814 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -65.21 -70.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 1.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.501 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 51.8 t -48.81 -61.54 1.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 1.0 108.334 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.423 ' ND1' ' HB3' ' A' ' 97' ' ' LEU . 11.9 m170 -38.85 -29.01 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.749 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.432 ' OG ' ' NE ' ' A' ' 71' ' ' ARG . 2.7 t -68.11 -51.9 41.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 1.0 110.032 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 82' ' ' CYS . 7.1 mmtt -63.35 -32.62 74.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 1.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.7 t -65.86 -55.17 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 1.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.45 HG21 HG21 ' A' ' 98' ' ' THR . 3.4 t -54.41 -28.54 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 1.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.19 -5.6 33.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 1.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.65 -42.23 3.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 1.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.6 72.34 77.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 1.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -82.99 33.42 0.53 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.304 3.336 . . . . 1.0 109.609 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -90.74 30.25 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 1.0 110.326 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.1 mt -134.96 -61.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 1.0 109.259 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER 52.66 58.31 5.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 1.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 94' ' ' LYS . 4.9 mtmt 165.61 -52.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 98' ' ' THR . 3.2 m-20 -70.22 140.95 52.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 1.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.496 ' C ' ' CG2' ' A' ' 98' ' ' THR . 1.9 mt 68.47 4.52 4.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 1.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.496 ' CG2' ' C ' ' A' ' 97' ' ' LEU . 5.6 p -153.15 23.11 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 1.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -106.21 131.45 10.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 1.0 110.957 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 72.6 m -68.98 -28.87 67.01 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.296 -1.002 . . . . 1.0 108.296 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -147.16 171.51 15.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 1.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 106' ' ' HIS . 0.1 OUTLIER 41.04 45.96 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 1.0 109.253 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.5 t -126.26 -164.4 1.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 1.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.96 6.36 42.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 1.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.426 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 0.6 OUTLIER -123.24 -54.15 1.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 1.0 108.25 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 102' ' ' LYS . 92.2 m-70 -110.53 77.67 1.33 Allowed Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 115.017 -0.992 . . . . 1.0 109.785 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 57.2 Cg_endo . . . . . 0 N--CA 1.447 -1.248 0 C-N-CA 124.35 3.366 . . . . 1.0 109.592 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.745 HMD1 HBD1 ' A' ' 233' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.575 HMD2 ' CGD' ' A' ' 251' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.565 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.823 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 122.03 0.919 . . . . 1.0 109.325 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.462 ' O ' ' CMB' ' A' ' 233' ' ' HEM . 76.9 Cg_exo -45.57 120.28 3.21 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.307 3.338 . . . . 1.0 109.608 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 2' ' ' PRO . . . -40.55 122.2 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 1.0 109.314 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 4' ' ' VAL . 9.5 p -59.72 113.06 6.27 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -48.01 127.78 15.42 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.308 3.338 . . . . 1.0 109.611 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -88.03 3.77 47.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 1.0 109.312 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -123.07 96.23 44.98 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 1.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -38.64 146.91 0.13 Allowed 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.336 3.357 . . . . 1.0 109.549 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.72 147.43 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 1.0 109.288 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.05 141.95 28.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 1.0 110.318 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.458 ' CG2' ' CGD' ' A' ' 233' ' ' HEM . 40.5 t -118.07 83.67 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 1.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -71.36 92.1 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 1.0 109.35 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.06 -146.44 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 1.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.417 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -54.24 -65.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 1.0 109.996 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -146.12 44.19 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 1.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.18 124.77 4.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 1.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.2 m -90.53 129.09 36.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 1.0 110.379 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.5 t -135.23 125.36 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 1.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.2 mtm -96.71 137.73 35.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 1.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.746 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 6.2 t80 -123.34 97.77 42.23 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 1.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.557 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 16.5 Cg_exo -66.88 138.96 50.16 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.306 3.338 . . . . 1.0 109.581 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -84.45 -23.91 29.75 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 124.135 0.897 . . . . 1.0 109.747 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.945 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -50.35 -55.62 24.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 1.0 109.267 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.945 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 25.7 Cg_exo -63.12 -7.11 11.01 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.311 3.341 . . . . 1.0 109.601 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.437 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 51.2 m80 -132.62 40.57 3.26 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 124.174 0.921 . . . . 1.0 109.741 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.25 5.2 44.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 1.0 110.315 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -118.29 -18.29 9.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 1.0 109.279 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 t -85.38 128.8 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 1.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.46 136.92 19.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 1.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' VAL . 6.8 m -54.21 -63.58 1.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 1.0 108.305 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 32' ' ' THR . 7.5 p -38.9 -55.39 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 1.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.515 ' N ' HG13 ' A' ' 31' ' ' VAL . 10.1 m -35.2 -35.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 1.0 110.366 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.565 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.8 OUTLIER -105.45 -55.03 2.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.175 . . . . 1.0 108.286 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -81.82 76.42 8.72 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.74 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -51.78 159.13 0.86 Allowed 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.141 0.901 . . . . 1.0 109.755 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.01 151.2 23.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 1.0 109.302 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.607 HG12 ' OD1' ' A' ' 38' ' ' ASP . 77.2 t -116.12 110.76 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.607 ' OD1' HG12 ' A' ' 37' ' ' VAL . 0.7 OUTLIER 52.0 40.0 27.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 1.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.16 31.29 76.33 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 1.0 110.991 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.73 100.26 6.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 1.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -50.17 119.94 4.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 1.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.2 t -143.68 159.36 42.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 1.0 110.014 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -139.33 55.03 1.69 Allowed 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.821 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.417 ' O ' HMC2 ' A' ' 251' ' ' HEM . . . -98.2 147.75 24.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 1.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.518 ' O ' HMC3 ' A' ' 251' ' ' HEM . 0.7 OUTLIER -54.53 149.98 9.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 1.0 109.268 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.6 m -51.19 -31.78 21.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 1.0 108.296 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -95.07 55.11 1.83 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.463 1.102 . . . . 1.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.6 t -107.68 168.16 9.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 1.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.41 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 2.7 m -48.38 126.54 11.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 1.0 109.972 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.424 ' O ' ' HAC' ' A' ' 251' ' ' HEM . . . 54.96 55.25 28.88 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 1.0 110.968 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.468 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 14.4 m -145.48 -145.5 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.278 -1.008 . . . . 1.0 108.278 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -94.88 87.45 4.98 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.731 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -138.73 54.62 1.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 1.0 109.324 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -152.8 99.88 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 1.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.417 ' CD1' ' HA ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -92.81 17.73 10.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 1.0 109.339 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.5 -47.69 3.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 1.0 110.345 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -39.24 -61.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 1.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 90.48 -31.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 1.0 109.314 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -143.75 139.77 29.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.157 . . . . 1.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 123.4 178.83 15.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 1.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.07 15.86 3.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 1.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 7.0 mmtt -124.56 34.18 5.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 1.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.2 t -132.17 139.98 48.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 1.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.9 tp -98.91 36.75 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 1.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -130.3 -34.33 1.63 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.007 -0.997 . . . . 1.0 109.805 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -86.97 -2.77 58.87 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 118.917 -0.563 . . . . 1.0 109.834 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.3 m -118.13 3.18 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 1.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 t -102.78 -46.12 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 1.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.668 ' O ' ' C ' ' A' ' 70' ' ' ALA . 31.3 m80 -97.34 -81.32 0.43 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.042 -0.981 . . . . 1.0 109.792 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 1.008 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 15.7 90.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 1.0 109.317 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.72 26.08 4.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 1.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -107.87 -159.3 20.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.449 1.093 . . . . 1.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.75 105.6 12.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 0.736 . . . . 1.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.008 HD11 ' CB ' ' A' ' 70' ' ' ALA . 81.9 mt -116.23 171.22 7.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -56.55 -50.78 70.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 1.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -105.7 -139.34 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 1.0 109.546 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.2 m -127.61 104.67 8.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 1.0 110.373 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.862 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -66.83 166.98 12.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 1.0 110.027 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.402 ' C ' ' N ' ' A' ' 81' ' ' ALA . 11.2 m -61.36 -67.34 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 1.0 108.318 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -48.08 -23.39 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 1.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.78 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.24 -71.17 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 1.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.578 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 54.1 t -49.9 -59.97 3.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 1.0 108.326 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.603 ' O ' HG23 ' A' ' 87' ' ' VAL . 12.4 m170 -40.36 -28.47 0.06 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.021 -0.991 . . . . 1.0 109.759 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 5.3 p -58.79 -45.14 90.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 1.0 110.02 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 82' ' ' CYS . 1.5 tppp? -73.5 -40.74 63.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 1.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.611 HG11 HD12 ' A' ' 97' ' ' LEU . 70.0 t -51.34 -42.62 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 1.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.615 HG21 HG21 ' A' ' 98' ' ' THR . 56.9 t -54.91 -27.44 18.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 1.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.6 12.63 10.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 1.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 86' ' ' VAL . 0.6 OUTLIER -122.56 -41.33 2.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 1.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.662 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -123.71 76.32 56.11 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 1.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.406 ' HD3' ' C ' ' A' ' 89' ' ' GLU . 51.7 Cg_exo -49.66 -18.63 2.77 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.312 3.342 . . . . 1.0 109.577 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.5 28.78 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 1.0 110.32 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.662 HD13 ' HB3' ' A' ' 90' ' ' LYS . 3.5 mp -106.64 -59.33 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 1.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.1 tttt 52.26 -91.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 93' ' ' LEU . 10.3 mtmm -107.0 41.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -104.8 -50.22 3.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 1.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.611 HD12 HG11 ' A' ' 86' ' ' VAL . 10.7 mt -106.72 -9.64 16.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.615 HG21 HG21 ' A' ' 87' ' ' VAL . 8.3 p -138.53 38.13 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 1.0 110.442 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.27 127.7 9.2 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 1.0 111.049 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 73.6 m -69.48 -29.47 67.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -143.42 172.58 12.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 1.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.1 pttt 41.7 36.43 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 1.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 64.2 p -114.28 -170.46 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -89.75 5.66 45.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 1.0 109.238 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.411 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -118.77 -53.72 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 1.0 108.303 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -112.86 65.64 0.9 Allowed Pre-proline 0 CA--C 1.54 0.576 0 CA-C-N 114.987 -1.006 . . . . 1.0 109.752 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.411 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 51.9 Cg_endo . . . . . 0 N--CA 1.447 -1.234 0 C-N-CA 124.348 3.365 . . . . 1.0 109.558 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.746 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.593 HMD2 ' CGD' ' A' ' 251' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.62 ' C1C' HBC1 ' A' ' 233' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.814 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.469 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 122.055 0.931 . . . . 1.0 109.336 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.736 ' HG2' ' CMA' ' A' ' 233' ' ' HEM . 18.3 Cg_endo -58.29 139.67 91.45 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.282 3.321 . . . . 1.0 109.597 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -50.53 127.12 17.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 109.28 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -46.02 123.55 6.54 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 1.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -71.35 129.35 15.79 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.321 3.347 . . . . 1.0 109.61 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -81.8 4.09 23.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 1.0 109.296 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.72 148.07 39.0 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 1.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -79.42 137.85 13.47 Favored 'Trans proline' 0 N--CA 1.448 -1.181 0 C-N-CA 124.286 3.324 . . . . 1.0 109.596 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -101.78 131.36 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 1.0 109.294 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.22 144.99 54.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 1.0 110.269 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.48 HG22 ' CGD' ' A' ' 233' ' ' HEM . 21.7 t -125.89 72.72 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 1.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -56.46 96.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 1.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.94 -151.16 2.58 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 1.0 111.049 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -62.29 1.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 1.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -146.47 46.34 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -163.41 130.02 3.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.2 m -93.84 127.6 39.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 110.381 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.3 t -136.16 125.81 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.36 135.0 43.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 1.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.649 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 22.7 t80 -114.89 122.95 32.72 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 1.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.733 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 35.3 Cg_endo -87.54 138.53 4.58 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.3 3.333 . . . . 1.0 109.552 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -87.84 -33.91 18.41 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 124.17 0.919 . . . . 1.0 109.761 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.935 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.17 -55.11 16.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 1.0 109.269 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.935 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 31.9 Cg_exo -64.1 -5.33 9.19 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.282 3.322 . . . . 1.0 109.583 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.488 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 70.7 m80 -133.85 39.15 3.17 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.148 0.905 . . . . 1.0 109.763 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.71 6.76 44.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 1.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.48 -21.29 10.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 1.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.463 HG12 ' HB ' ' A' ' 32' ' ' THR . 24.2 t -85.87 124.01 39.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -46.29 134.93 8.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 1.0 110.294 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.3 m -48.05 -61.58 1.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 1.0 108.281 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 33' ' ' CYS . 62.4 t -40.38 -51.98 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 1.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.463 ' HB ' HG12 ' A' ' 28' ' ' VAL . 2.3 m -37.0 -32.54 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 1.0 110.429 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.607 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.8 OUTLIER -110.6 -53.69 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 1.0 108.275 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -83.97 73.02 10.4 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.027 -0.988 . . . . 1.0 109.787 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -47.66 160.34 0.12 Allowed 'General case' 0 CA--C 1.54 0.57 0 O-C-N 124.205 0.94 . . . . 1.0 109.746 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.18 155.82 22.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 1.0 109.309 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.4 t -118.4 112.49 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 1.0 109.333 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 t0 56.86 41.77 27.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 1.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.95 33.37 73.61 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.529 1.143 . . . . 1.0 111.031 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.25 126.95 27.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 1.0 109.333 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -43.23 143.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.097 . . . . 1.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.59 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -149.65 153.83 37.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 1.0 110.001 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.59 ' CD1' ' O ' ' A' ' 42' ' ' SER . 79.2 m-85 -159.47 47.93 0.3 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.99 -1.005 . . . . 1.0 109.873 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.441 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -100.65 147.42 26.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' O ' HMC3 ' A' ' 251' ' ' HEM . 4.3 mmtp -42.65 152.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 1.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.518 ' HA ' ' HAB' ' A' ' 251' ' ' HEM . 0.1 OUTLIER -50.83 -36.84 39.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 1.0 108.265 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -108.13 62.8 0.29 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.552 1.158 . . . . 1.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.441 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 28.2 t -98.28 167.1 11.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 1.0 110.025 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.7 p -49.3 129.36 18.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 1.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.79 48.88 82.94 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.163 . . . . 1.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.403 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 16.1 m -144.48 -145.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.256 -1.016 . . . . 1.0 108.256 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -89.93 76.43 7.08 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.983 -1.008 . . . . 1.0 109.78 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -127.43 57.18 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 1.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -161.54 92.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 1.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.418 HD11 ' HB3' ' A' ' 64' ' ' LEU . 9.6 mp -92.23 15.1 14.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 1.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -75.64 -17.03 60.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 1.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.08 162.24 13.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 1.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.503 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 0.2 OUTLIER -102.79 -7.64 21.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 1.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.39 134.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 1.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 151.81 157.54 7.97 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 1.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -59.59 -14.82 14.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 0.764 . . . . 1.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.53 39.62 1.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 1.0 109.252 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -135.85 140.82 44.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 1.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.467 ' O ' ' CGD' ' A' ' 305' ' ' HEM . 43.8 tp -100.44 37.55 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 1.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.503 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 3.7 t80 -130.13 -33.98 1.7 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.831 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -87.77 -1.63 58.09 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 118.919 -0.562 . . . . 1.0 109.829 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.3 m -120.04 5.69 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 1.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -107.09 -43.22 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.684 ' O ' ' C ' ' A' ' 70' ' ' ALA . 40.8 m80 -98.39 -82.26 0.43 Allowed 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.005 -0.998 . . . . 1.0 109.747 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.95 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 12.68 89.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 1.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.59 21.95 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 1.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.24 -171.53 26.05 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.473 1.108 . . . . 1.0 111.029 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -75.38 103.34 5.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 0.721 . . . . 1.0 110.255 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.95 HD11 ' CB ' ' A' ' 70' ' ' ALA . 73.9 mt -109.83 160.8 16.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.404 ' HB2' HAA2 ' A' ' 251' ' ' HEM . 0.9 OUTLIER -45.81 -29.99 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 1.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -124.89 -144.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 1.0 109.589 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 22.6 m -126.09 103.97 8.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 1.0 110.351 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.859 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -68.18 166.33 16.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 1.0 110.031 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.415 ' C ' ' N ' ' A' ' 81' ' ' ALA . 7.8 m -61.42 -66.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.0 108.309 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.9 OUTLIER -48.27 -22.37 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 1.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.805 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.64 -70.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 1.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.503 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 50.7 t -50.74 -63.72 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 1.0 108.281 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -36.06 -31.43 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.975 -1.011 . . . . 1.0 109.734 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 5.1 t -55.99 -51.52 67.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 1.0 110.013 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' CYS . 1.0 OUTLIER -65.74 -36.68 84.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 1.0 109.325 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.482 ' CG1' HD12 ' A' ' 97' ' ' LEU . 87.1 t -58.95 -45.84 91.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 1.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.737 HG21 HG21 ' A' ' 98' ' ' THR . 8.7 t -54.7 -27.71 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 1.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.06 12.14 10.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 109.261 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -123.64 -42.63 2.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 1.0 110.34 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.432 ' HB3' ' CD1' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -121.3 83.41 39.67 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 1.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -58.95 -9.17 7.21 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.304 3.336 . . . . 1.0 109.61 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.99 30.09 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 110.313 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.681 HD13 ' HG ' ' A' ' 97' ' ' LEU . 18.0 mt -113.73 -64.54 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 1.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt 57.55 -90.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 1.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -106.5 40.41 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.495 ' C ' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -112.36 -47.86 3.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 1.0 109.277 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.681 ' HG ' HD13 ' A' ' 93' ' ' LEU . 3.7 mt -100.44 -20.12 15.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 1.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.737 HG21 HG21 ' A' ' 87' ' ' VAL . 3.2 p -134.92 39.29 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 1.0 110.392 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -98.7 128.48 9.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 1.0 111.029 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 79.0 m -72.67 -30.81 64.58 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.32 -0.993 . . . . 1.0 108.32 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.423 ' C ' ' N ' ' A' ' 103' ' ' SER . . . -142.73 173.5 11.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 1.0 109.341 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.3 mttm 43.8 27.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 1.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 101' ' ' ALA . 43.5 p -106.56 -173.31 2.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 1.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.642 ' CE ' ' C3A' ' A' ' 282' ' ' HEM . 0.0 OUTLIER -85.74 -7.23 58.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.093 . . . . 1.0 109.33 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.414 ' C ' ' CD ' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -104.51 -47.05 4.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 1.0 108.328 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.475 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 86.5 m-70 -119.92 55.77 3.76 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 115.007 -0.997 . . . . 1.0 109.748 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 106' ' ' HIS . 37.2 Cg_endo . . . . . 0 N--CA 1.447 -1.225 0 C-N-CA 124.333 3.355 . . . . 1.0 109.592 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.736 ' CMA' ' HG2' ' A' ' 2' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.518 ' HAB' ' HA ' ' A' ' 46' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.642 ' C3A' ' CE ' ' A' ' 104' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.795 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.701 ' HB1' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 122.058 0.932 . . . . 1.0 109.299 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.701 ' CD ' ' HB1' ' A' ' 1' ' ' ALA . 11.7 Cg_exo -72.55 157.96 51.77 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.318 3.345 . . . . 1.0 109.591 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.78 121.82 17.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 1.0 109.323 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.37 121.68 65.16 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 1.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.553 ' HG3' ' CGA' ' A' ' 233' ' ' HEM . 65.5 Cg_endo -76.52 125.17 8.13 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.288 3.325 . . . . 1.0 109.569 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 3.8 p-10 -85.06 8.14 19.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 1.0 109.312 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -114.52 91.0 23.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.539 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 10.6 Cg_exo -39.95 147.27 0.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.334 3.356 . . . . 1.0 109.595 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.27 147.09 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 1.0 109.329 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.37 140.02 29.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 1.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.3 t -118.88 84.52 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 1.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt -89.54 94.4 9.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.422 ' C ' HD13 ' A' ' 55' ' ' LEU . . . -75.86 -131.38 0.35 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.455 1.097 . . . . 1.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.638 ' CB ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -57.96 -73.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 1.0 110.027 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.401 ' N ' ' OG ' ' A' ' 14' ' ' SER . 4.1 tt0 -145.81 46.69 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 1.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HD2' ' ND1' ' A' ' 106' ' ' HIS . 2.3 mmtt -153.25 103.95 2.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 1.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.7 m -78.38 134.19 37.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.0 110.394 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.2 t -145.41 126.9 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 1.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.34 134.26 47.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 1.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.643 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 19.7 t80 -115.28 123.73 31.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.787 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 33.5 Cg_endo -87.63 139.3 4.79 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.346 3.364 . . . . 1.0 109.619 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -87.34 -33.77 19.07 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.102 0.876 . . . . 1.0 109.774 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.92 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.76 -54.79 20.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 1.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.92 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 37.8 Cg_exo -64.09 -5.54 9.6 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.29 3.327 . . . . 1.0 109.601 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.497 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 70.1 m80 -134.6 39.65 3.01 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 124.147 0.904 . . . . 1.0 109.805 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 18.7 tt0 -100.2 4.85 44.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 1.0 110.317 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -113.69 -21.11 10.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 1.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.7 t -84.55 124.92 40.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 1.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -46.49 133.62 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 1.0 110.275 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 31' ' ' VAL . 8.4 m -48.78 -61.91 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 1.0 108.288 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 32' ' ' THR . 5.3 p -40.14 -51.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.441 ' N ' HG13 ' A' ' 31' ' ' VAL . 2.4 m -37.45 -35.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 1.0 110.42 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.596 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.8 OUTLIER -107.05 -52.33 2.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 1.0 108.318 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -84.78 72.78 10.7 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.008 -0.996 . . . . 1.0 109.764 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -48.87 160.23 0.2 Allowed 'General case' 0 CA--C 1.54 0.568 0 O-C-N 124.207 0.942 . . . . 1.0 109.77 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.67 152.33 22.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 1.0 109.308 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.4 t -120.65 112.65 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 1.0 109.328 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t0 55.46 41.4 30.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 1.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.3 39.69 65.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 1.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.77 105.95 6.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 1.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -46.77 124.41 6.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 1.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.584 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -141.37 165.5 27.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 1.0 110.015 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 42' ' ' SER . 54.4 m-85 -154.38 55.72 0.7 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.997 -1.001 . . . . 1.0 109.859 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.62 147.96 23.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 1.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -45.04 153.01 0.21 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 1.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.414 ' HA ' ' HAB' ' A' ' 251' ' ' HEM . 0.0 OUTLIER -51.47 -41.86 61.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 1.0 108.284 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.39 58.02 1.16 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 1.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.9 t -92.23 166.84 12.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 0.794 . . . . 1.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.402 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -56.91 135.62 55.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 1.0 110.034 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.01 39.14 89.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 1.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 49' ' ' SER . 20.8 m -135.86 -143.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.364 -0.976 . . . . 1.0 108.364 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -89.77 76.94 7.14 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.038 -0.983 . . . . 1.0 109.757 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -129.3 52.17 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 1.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -152.92 92.29 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 1.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.638 HD22 ' CB ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -93.56 16.8 12.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 1.0 109.255 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 m -82.07 -15.49 53.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 1.0 110.433 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.41 169.02 8.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -109.29 -13.35 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 58' ' ' LYS . 10.1 mttp -162.87 135.79 5.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 1.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 145.69 157.64 7.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.444 1.09 . . . . 1.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -58.45 -18.46 28.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 1.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 1.3 mtpt -101.5 37.07 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -136.61 134.61 37.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 110.019 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.0 tp -96.44 35.91 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 1.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -128.27 -33.31 2.16 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.845 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -88.08 -1.48 58.03 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 118.874 -0.584 . . . . 1.0 109.794 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 m -120.64 4.97 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 1.0 109.291 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.52 HG21 HBD1 ' A' ' 305' ' ' HEM . 2.3 t -104.03 -48.37 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 1.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.672 ' O ' ' C ' ' A' ' 70' ' ' ALA . 28.8 m80 -95.73 -78.62 0.45 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.987 -1.006 . . . . 1.0 109.77 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 1.068 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 14.66 90.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 109.307 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.481 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -96.54 26.56 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 1.0 110.282 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.02 -152.3 16.76 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.488 1.117 . . . . 1.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -88.99 104.95 17.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 0.752 . . . . 1.0 110.331 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.068 HD11 ' CB ' ' A' ' 70' ' ' ALA . 73.0 mt -114.81 176.54 5.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 1.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -50.44 73.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 1.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -106.99 -140.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 1.0 109.599 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.8 m -126.07 104.56 8.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 1.0 110.394 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.839 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -66.08 167.01 10.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 1.0 110.041 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.403 ' C ' ' N ' ' A' ' 81' ' ' ALA . 13.2 m -61.51 -67.09 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 1.0 108.286 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -48.38 -22.45 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 1.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -65.51 -72.0 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 1.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.45 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 48.1 t -47.77 -57.44 5.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 1.0 108.323 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 1.013 ' O ' HG23 ' A' ' 87' ' ' VAL . 12.7 m170 -42.63 -37.21 1.63 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.021 -0.99 . . . . 1.0 109.724 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.415 ' OG ' ' NE ' ' A' ' 71' ' ' ARG . 8.6 t -64.28 -47.03 81.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 1.0 109.953 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 10.3 mmtt -66.14 -42.09 89.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 1.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.3 t -55.7 -37.36 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 1.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 1.013 HG23 ' O ' ' A' ' 83' ' ' HIS . 57.3 t -55.53 -26.34 19.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 1.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -80.96 5.04 17.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.48 -46.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 1.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.479 ' O ' HD12 ' A' ' 93' ' ' LEU . 1.4 ttpt -129.46 75.72 79.61 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 1.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -83.39 25.0 0.71 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.298 3.332 . . . . 1.0 109.574 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.56 24.5 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 1.0 110.262 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.773 HD22 ' CD2' ' A' ' 97' ' ' LEU . 1.2 mp -130.18 -76.31 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 1.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt 64.62 -75.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 1.0 109.355 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 93' ' ' LEU . 21.3 mtpp -89.97 34.96 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 1.0 109.248 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.488 ' CB ' ' HB3' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -138.62 -45.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.346 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.773 ' CD2' HD22 ' A' ' 93' ' ' LEU . 5.7 mt -95.4 -17.31 21.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 1.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.3 p -136.42 37.74 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 1.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.31 128.6 9.62 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.508 1.13 . . . . 1.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 84.5 m -69.32 -27.94 65.81 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -146.66 172.18 13.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 1.0 109.252 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 mttt 42.29 43.18 2.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 1.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.3 p -123.32 -162.08 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 1.0 110.028 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -96.07 10.64 36.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 1.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.433 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.7 OUTLIER -124.93 -53.11 1.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 108.277 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.402 ' ND1' ' HD2' ' A' ' 16' ' ' LYS . 92.9 m-70 -112.15 66.51 0.79 Allowed Pre-proline 0 CA--C 1.54 0.561 0 CA-C-N 115.03 -0.987 . . . . 1.0 109.78 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.433 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 73.7 Cg_endo . . . . . 0 N--CA 1.447 -1.223 0 C-N-CA 124.325 3.35 . . . . 1.0 109.552 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.643 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.584 HMD1 ' CGD' ' A' ' 251' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.58 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.823 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.681 ' HB1' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 122.094 0.949 . . . . 1.0 109.292 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.681 ' CD ' ' HB1' ' A' ' 1' ' ' ALA . 7.2 Cg_exo -75.22 154.29 41.36 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.33 3.353 . . . . 1.0 109.595 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.87 122.02 17.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 1.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.67 121.96 64.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 1.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -75.51 125.5 9.03 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.316 3.344 . . . . 1.0 109.59 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.407 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 4.3 p-10 -86.46 9.05 19.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 1.0 109.314 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 pttp -116.16 88.49 22.64 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 1.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.556 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 13.1 Cg_exo -41.68 147.8 0.37 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.335 3.357 . . . . 1.0 109.558 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.42 148.82 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 109.284 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.83 144.76 27.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 1.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.2 t -122.06 86.07 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 1.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -87.24 89.41 7.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 1.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.81 -134.91 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 1.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.43 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -61.27 -68.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.794 . . . . 1.0 110.023 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -149.51 48.43 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 1.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.558 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 1.3 tptm -156.2 95.97 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 1.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.3 m -73.49 134.1 43.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 1.0 110.442 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.6 t -150.18 127.49 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 1.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -101.01 139.95 35.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 1.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.687 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 23.7 t80 -117.45 123.01 30.28 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 1.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.761 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 32.7 Cg_endo -88.17 139.57 4.44 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.318 3.345 . . . . 1.0 109.563 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -87.82 -33.77 18.49 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 124.106 0.879 . . . . 1.0 109.756 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.916 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.86 -54.88 20.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 1.0 109.267 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.916 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 36.5 Cg_exo -63.79 -6.09 10.17 Favored 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 124.303 3.335 . . . . 1.0 109.574 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.414 ' CD2' ' CBC' ' A' ' 233' ' ' HEM . 69.9 m80 -133.55 40.4 3.14 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 124.156 0.91 . . . . 1.0 109.817 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.7 9.01 41.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 1.0 110.346 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.62 -3.05 8.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 1.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.0 t -101.98 122.6 54.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 1.0 109.286 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.31 129.6 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 1.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.9 m -47.15 -60.58 2.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 1.0 108.244 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 32' ' ' THR . 7.3 p -40.34 -52.04 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 1.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.46 ' N ' HG13 ' A' ' 31' ' ' VAL . 3.3 m -37.1 -32.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 1.0 110.424 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.597 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.8 OUTLIER -110.81 -52.47 2.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 1.0 108.29 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -85.15 73.47 10.62 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.786 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -49.56 160.61 0.26 Allowed 'General case' 0 CA--C 1.54 0.567 0 O-C-N 124.1 0.875 . . . . 1.0 109.723 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.02 148.75 26.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 1.0 109.232 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.7 t -116.36 112.81 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 1.0 109.332 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 52.5 40.67 30.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 1.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.61 38.54 82.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 1.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.05 103.04 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 1.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -44.27 122.87 3.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 1.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.4 t -142.4 159.22 42.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 1.0 110.004 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.479 ' CD2' ' HG2' ' A' ' 2' ' ' PRO . 77.8 m-85 -142.63 56.55 1.43 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.841 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.644 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -95.47 147.28 23.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 1.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.611 ' O ' HMC3 ' A' ' 251' ' ' HEM . 0.3 OUTLIER -47.71 155.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 1.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.501 ' HB3' HD13 ' A' ' 64' ' ' LEU . 1.1 m -50.48 -33.6 21.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 1.0 108.306 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.72 65.05 0.28 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.106 . . . . 1.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.644 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 26.7 t -99.23 168.46 10.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 1.0 110.039 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.6 m -46.36 116.72 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.0 109.964 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.408 ' O ' ' HAC' ' A' ' 251' ' ' HEM . . . 65.65 58.05 10.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 1.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.406 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 18.1 m -149.58 -144.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.302 -0.999 . . . . 1.0 108.302 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -89.06 82.45 6.64 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.021 -0.99 . . . . 1.0 109.778 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -135.57 50.35 2.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 1.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -151.67 93.23 1.84 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 1.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.55 HD11 ' O2D' ' A' ' 305' ' ' HEM . 3.1 mt -94.47 18.12 11.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 1.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.76 -7.68 23.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 1.0 110.446 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.546 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -86.33 -53.03 5.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 1.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.546 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 2.8 tppt? 90.63 -34.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 1.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.14 129.44 16.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 1.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 142.03 -178.88 20.41 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.459 1.099 . . . . 1.0 111.033 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -85.51 15.29 4.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 1.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 6.2 mmtt -129.84 36.13 4.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 1.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -134.89 141.25 46.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 110.047 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.501 HD13 ' HB3' ' A' ' 46' ' ' CYS . 44.0 tp -99.38 36.26 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 1.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -129.07 -33.5 1.97 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.981 -1.009 . . . . 1.0 109.882 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -87.29 -2.05 58.35 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 118.887 -0.578 . . . . 1.0 109.86 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.7 m -119.91 5.07 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 1.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 t -106.74 -41.63 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 1.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.683 ' O ' ' C ' ' A' ' 70' ' ' ALA . 37.3 m80 -100.27 -82.77 0.45 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.007 -0.997 . . . . 1.0 109.731 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.939 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 13.23 89.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 1.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.75 23.85 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 1.0 110.321 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -105.17 -170.7 24.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.11 . . . . 1.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -75.41 101.57 4.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 0.745 . . . . 1.0 110.286 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.939 HD11 ' CB ' ' A' ' 70' ' ' ALA . 82.0 mt -107.35 167.88 9.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 1.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -28.84 37.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 1.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -126.49 -143.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 1.0 109.623 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.8 m -125.84 104.89 8.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 1.0 110.42 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.869 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -69.68 167.0 17.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 1.0 110.012 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.403 ' C ' ' N ' ' A' ' 81' ' ' ALA . 11.3 m -61.94 -66.2 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 1.0 108.262 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -48.0 -23.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -63.86 -70.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 1.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.465 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 51.4 t -50.8 -61.47 2.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 1.0 108.287 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.401 ' ND1' ' HB3' ' A' ' 97' ' ' LEU . 12.5 m170 -38.93 -29.13 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.972 -1.013 . . . . 1.0 109.768 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 3.2 t -59.09 -50.23 74.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 1.0 110.041 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 82' ' ' CYS . 1.3 mttt -67.99 -35.65 78.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 1.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.576 HG11 HD12 ' A' ' 97' ' ' LEU . 77.1 t -58.21 -48.44 84.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 1.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.746 HG21 HG21 ' A' ' 98' ' ' THR . 18.9 t -54.45 -31.23 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 1.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.42 12.52 10.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' C ' ' HD3' ' A' ' 91' ' ' PRO . 5.0 tt0 -123.85 -40.28 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 1.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.445 ' HB3' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -122.41 80.89 46.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 1.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.404 ' C ' ' H ' ' A' ' 93' ' ' LEU . 32.8 Cg_exo -56.28 -11.77 6.7 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.323 3.349 . . . . 1.0 109.619 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -82.86 26.98 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 1.0 110.303 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.495 ' O ' ' C ' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -109.94 -71.27 0.77 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 1.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.495 ' C ' ' O ' ' A' ' 93' ' ' LEU . 10.1 tptp 33.27 89.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 94' ' ' LYS . 6.0 tttp 81.05 34.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.448 ' HB2' ' CB ' ' A' ' 93' ' ' LEU . 1.6 m-20 -118.11 -51.88 2.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 1.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.576 HD12 HG11 ' A' ' 86' ' ' VAL . 18.3 mt -109.92 2.97 20.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 1.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.746 HG21 HG21 ' A' ' 87' ' ' VAL . 7.0 p -147.83 39.1 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 1.0 110.364 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -105.54 130.03 10.04 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.482 1.114 . . . . 1.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.6 m -70.4 -30.96 67.98 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.342 -0.985 . . . . 1.0 108.342 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.26 171.26 14.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 1.0 109.254 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.0 mttt 40.65 46.93 2.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 1.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.73 -169.07 1.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 1.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.01 12.27 11.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 1.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.435 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.5 OUTLIER -128.26 -55.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 1.0 108.259 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.558 ' CE1' ' HG2' ' A' ' 16' ' ' LYS . 89.7 m-70 -110.25 76.47 1.06 Allowed Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.785 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.435 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 58.7 Cg_endo . . . . . 0 N--CA 1.447 -1.237 0 C-N-CA 124.334 3.356 . . . . 1.0 109.574 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.687 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.611 HMC3 ' O ' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.58 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.821 HMC2 HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.727 ' HB1' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 122.054 0.931 . . . . 1.0 109.353 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.727 ' CD ' ' HB1' ' A' ' 1' ' ' ALA . 25.8 Cg_exo -64.5 118.14 5.13 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.353 3.369 . . . . 1.0 109.599 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -40.67 123.19 1.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.074 . . . . 1.0 109.277 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 4' ' ' VAL . 9.9 p -58.04 117.95 23.27 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -41.98 130.78 4.38 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.355 3.37 . . . . 1.0 109.589 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -72.63 -12.43 61.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 1.0 109.27 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.22 155.84 70.67 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 1.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -75.58 172.17 16.83 Favored 'Trans proline' 0 N--CA 1.446 -1.287 0 C-N-CA 124.295 3.33 . . . . 1.0 109.64 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 m -131.33 144.22 38.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 1.0 109.351 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.71 142.81 27.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 1.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.6 t -116.91 68.75 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.75 92.5 4.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 1.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.99 -130.39 0.66 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 1.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -59.23 -74.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 1.0 109.983 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.427 ' N ' ' OG ' ' A' ' 14' ' ' SER . 2.8 tt0 -145.57 45.96 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 1.0 110.282 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.484 ' HD3' ' C2A' ' A' ' 305' ' ' HEM . 1.4 mttt -149.62 97.16 2.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 1.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m -74.78 131.87 41.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 1.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.6 t -148.42 126.73 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 1.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 32.6 mtt -103.27 133.79 47.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 1.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.7 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 28.3 t80 -114.78 121.29 35.85 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.711 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 41.8 Cg_endo -86.61 138.24 5.23 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.322 3.348 . . . . 1.0 109.556 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -88.4 -33.1 18.02 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 124.149 0.906 . . . . 1.0 109.736 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.917 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.53 -54.77 20.02 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 1.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.917 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 27.7 Cg_exo -64.37 -5.51 9.98 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.294 3.329 . . . . 1.0 109.596 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.47 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 70.2 m80 -131.99 37.94 3.56 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 124.105 0.878 . . . . 1.0 109.759 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 11.2 tt0 -99.19 6.01 46.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 1.0 110.284 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.82 -4.24 11.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 1.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.9 t -104.28 123.74 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 1.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.37 142.87 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 1.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' CYS . 7.0 m -60.49 -66.01 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 1.0 108.279 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 33' ' ' CYS . 2.7 t -37.67 -57.78 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' VAL . 23.5 m -34.94 -34.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 1.0 110.39 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.526 ' HB2' ' CMC' ' A' ' 233' ' ' HEM . 0.5 OUTLIER -105.24 -45.97 4.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 108.331 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -92.63 69.83 4.85 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.954 -1.021 . . . . 1.0 109.804 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -42.05 159.48 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.572 0 O-C-N 124.111 0.882 . . . . 1.0 109.77 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.79 152.45 23.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 1.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 70.7 t -123.42 112.54 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 1.0 109.307 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 51.8 39.71 26.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.69 28.81 66.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.145 . . . . 1.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -129.67 93.8 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 1.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.78 123.26 3.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 1.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.8 t -135.41 157.47 46.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 1.0 110.04 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -139.58 55.05 1.67 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.822 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 45' ' ' LYS . . . -95.67 149.4 21.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' ALA . 16.6 mttt -40.49 147.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 1.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.51 ' HA ' ' HAB' ' A' ' 251' ' ' HEM . 0.0 OUTLIER -50.0 -27.9 6.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 1.0 108.262 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.99 66.6 0.32 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 1.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.0 t -99.82 166.62 11.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 0.732 . . . . 1.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.17 117.99 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 1.0 110.02 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.407 ' O ' ' HAC' ' A' ' 251' ' ' HEM . . . 71.75 50.11 20.78 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.492 1.12 . . . . 1.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.452 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 20.4 m -147.59 -140.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.299 -1.0 . . . . 1.0 108.299 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 61' ' ' GLU . 19.1 m-70 -96.48 78.15 2.99 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.975 -1.011 . . . . 1.0 109.741 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -134.6 47.64 2.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 1.0 109.307 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.47 99.77 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 1.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 mp -97.5 19.25 13.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 1.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.6 -5.51 42.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.524 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -90.59 -47.52 7.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 1.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 91.17 -27.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 1.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -155.23 135.89 13.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 1.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.64 161.88 9.87 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 1.0 111.051 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.449 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 0.7 OUTLIER -61.59 -13.58 23.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 1.0 110.298 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -99.16 31.49 3.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 1.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 t -135.5 145.79 47.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 1.0 110.013 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.3 tp -109.3 42.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 1.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -133.5 -34.96 1.02 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.027 -0.988 . . . . 1.0 109.828 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -88.38 -1.28 57.95 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 118.872 -0.585 . . . . 1.0 109.819 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.7 m -119.01 2.05 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 1.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.1 t -100.29 -48.13 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.681 ' O ' ' C ' ' A' ' 70' ' ' ALA . 23.9 m80 -95.7 -78.77 0.45 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.939 -1.028 . . . . 1.0 109.777 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.979 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 12.3 88.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 1.0 109.275 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.86 22.43 3.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 1.0 110.337 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.05 -164.0 24.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 1.0 110.979 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -79.74 105.91 11.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 1.0 110.269 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.979 HD11 ' CB ' ' A' ' 70' ' ' ALA . 82.7 mt -113.45 164.06 14.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 1.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -50.19 -34.87 24.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -120.74 -143.76 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 1.0 109.548 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.4 m -125.06 104.9 8.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 1.0 110.415 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.862 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.99 165.55 17.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 1.0 110.033 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.41 ' C ' ' N ' ' A' ' 81' ' ' ALA . 9.6 m -61.2 -66.88 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 1.0 108.312 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.67 -22.63 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 1.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.807 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -65.04 -70.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 1.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.524 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 50.7 t -50.06 -60.79 2.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 1.0 108.299 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.536 ' O ' HG23 ' A' ' 87' ' ' VAL . 13.0 m170 -39.13 -33.51 0.13 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.031 -0.986 . . . . 1.0 109.775 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 0.6 OUTLIER -56.47 -46.94 80.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 1.0 109.975 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 82' ' ' CYS . 0.1 OUTLIER -69.59 -40.18 76.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 1.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.621 HG11 ' CD1' ' A' ' 97' ' ' LEU . 84.2 t -55.03 -42.14 62.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 1.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 83' ' ' HIS . 49.3 t -54.73 -27.74 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 1.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.78 12.75 10.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 1.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 86' ' ' VAL . 0.5 OUTLIER -118.29 -37.7 3.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 1.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.554 ' HB3' HD12 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -131.82 67.65 79.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 1.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.42 ' HD3' ' C ' ' A' ' 89' ' ' GLU . 51.2 Cg_exo -49.93 -18.47 3.02 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.342 3.361 . . . . 1.0 109.578 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.687 ' O ' HD23 ' A' ' 93' ' ' LEU . 2.3 pt-20 -84.79 27.63 0.73 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 1.0 110.29 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.687 HD23 ' O ' ' A' ' 92' ' ' GLU . 75.2 mt -132.7 -75.54 0.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 1.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.534 ' C ' ' O ' ' A' ' 93' ' ' LEU . 45.6 tttt 29.44 61.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 1.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' A' ' 98' ' ' THR . 0.5 OUTLIER 177.88 -58.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 1.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.796 ' C ' HD23 ' A' ' 97' ' ' LEU . 22.9 m-20 -54.21 -20.04 6.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 1.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.796 HD23 ' C ' ' A' ' 96' ' ' ASP . 3.3 mt -111.49 -31.99 6.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 1.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 95' ' ' LYS . 31.2 p -113.82 -146.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 1.0 110.396 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 68.43 132.38 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.501 1.125 . . . . 1.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.505 ' SG ' ' CMB' ' A' ' 305' ' ' HEM . 65.9 m -77.37 -28.79 52.99 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.304 -0.999 . . . . 1.0 108.304 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.59 167.6 19.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 1.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 55.45 48.46 18.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 1.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.3 m -136.6 178.59 6.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 1.0 109.962 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.56 -3.54 59.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 1.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.3 m -101.95 -40.9 6.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 1.0 108.301 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.453 ' CE1' ' HE2' ' A' ' 16' ' ' LYS . 80.6 m-70 -131.68 74.53 77.71 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.021 -0.991 . . . . 1.0 109.781 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo . . . . . 0 N--CA 1.447 -1.211 0 C-N-CA 124.339 3.359 . . . . 1.0 109.592 179.869 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.7 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.51 ' HAB' ' HA ' ' A' ' 46' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.569 ' C1C' HBC1 ' A' ' 233' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.799 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.6 p -58.06 123.71 66.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 1.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -71.59 124.92 10.7 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.255 3.303 . . . . 1.0 109.615 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -77.15 -1.26 28.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 1.0 109.31 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.89 148.05 36.64 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -79.02 142.84 17.56 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.371 3.38 . . . . 1.0 109.563 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -108.11 133.47 52.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 1.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -71.78 139.08 48.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 1.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 13' ' ' GLY . 25.2 t -119.15 69.67 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 1.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -53.09 89.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 1.0 109.361 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 11' ' ' VAL . . . -66.06 -124.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.458 1.099 . . . . 1.0 110.95 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.08 -63.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 0.777 . . . . 1.0 109.994 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -127.91 -58.98 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 1.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.55 146.47 54.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 1.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.3 m -102.5 134.29 46.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 1.0 110.394 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.1 128.98 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 1.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.7 ptt? -110.09 131.54 54.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 1.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.456 ' CE1' ' ND1' ' A' ' 25' ' ' HIS . 19.5 t80 -107.95 125.44 32.1 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 1.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.756 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 31.9 Cg_endo -88.85 139.38 3.81 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.276 3.317 . . . . 1.0 109.593 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -87.65 -33.45 18.8 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.118 0.886 . . . . 1.0 109.752 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.916 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.89 -54.92 20.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.916 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 26.5 Cg_exo -65.15 -5.19 10.52 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.35 3.367 . . . . 1.0 109.594 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.456 ' ND1' ' CE1' ' A' ' 20' ' ' PHE . 69.3 m80 -134.21 40.97 3.0 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.145 0.903 . . . . 1.0 109.749 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.78 9.75 38.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 1.0 110.293 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.08 -4.13 9.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 1.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.1 t -103.2 124.48 57.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 1.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.416 ' OE1' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -46.18 136.01 7.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 1.0 110.314 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' CYS . 5.2 m -51.21 -59.74 3.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 1.0 108.337 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.416 HG12 ' OE1' ' A' ' 29' ' ' GLU . 3.6 p -38.66 -49.6 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' VAL . 3.3 m -37.77 -42.68 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 1.0 110.366 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' CYS . 1.3 m -101.78 -54.56 2.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 1.0 108.275 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.2 m-70 -82.52 69.93 9.38 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.758 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -47.5 160.8 0.1 Allowed 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.166 0.916 . . . . 1.0 109.78 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.65 155.56 24.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 1.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.9 t -124.33 112.47 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 1.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 t0 54.15 40.18 31.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 1.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.16 32.54 63.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 1.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -130.98 102.82 6.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.773 . . . . 1.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -43.86 128.74 5.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 1.0 110.311 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.473 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 41.3 t -148.48 156.61 42.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 1.0 110.007 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 42' ' ' SER . 25.9 m-85 -143.43 54.47 1.34 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.038 -0.983 . . . . 1.0 109.843 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.567 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -92.11 147.14 23.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 1.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.26 147.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 1.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.74 -33.62 4.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 1.0 108.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.07 63.09 0.29 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 1.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.567 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 27.0 t -97.94 167.65 10.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 1.0 109.975 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.0 t -42.26 126.67 3.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 1.0 110.016 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 55.45 52.53 47.2 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 1.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.9 m -141.91 -144.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.281 -1.007 . . . . 1.0 108.281 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -97.23 81.81 3.08 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.966 -1.015 . . . . 1.0 109.746 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -134.54 51.27 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 1.0 109.263 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.81 100.55 1.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 1.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.34 21.39 12.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 1.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.422 ' O ' ' CG2' ' A' ' 56' ' ' THR . 0.9 OUTLIER -101.44 -1.92 32.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 110.364 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -91.91 -49.1 6.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 1.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 90.05 -38.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 1.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.45 121.74 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 1.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 147.72 156.72 7.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.529 1.143 . . . . 1.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.36 -17.5 12.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 1.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.64 33.02 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 1.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -130.84 140.2 50.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 1.0 110.001 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.4 tp -103.63 39.76 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 1.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -131.39 -34.15 1.42 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.959 -1.018 . . . . 1.0 109.816 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -86.91 -3.88 59.12 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 118.937 -0.554 . . . . 1.0 109.841 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.1 m -117.5 2.86 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 1.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 t -102.09 -46.69 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 1.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.687 ' O ' ' C ' ' A' ' 70' ' ' ALA . 38.0 m80 -95.55 -80.08 0.43 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.719 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 1.022 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 11.74 91.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.421 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -92.15 20.52 5.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 1.0 110.351 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.0 -163.65 29.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.444 1.09 . . . . 1.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -84.13 98.33 9.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.753 . . . . 1.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.022 HD11 ' CB ' ' A' ' 70' ' ' ALA . 52.3 mt -105.36 172.85 6.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 1.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.49 -51.01 58.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -106.76 -139.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 1.0 109.601 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.0 m -127.0 104.27 7.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 1.0 110.371 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.855 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -65.72 166.44 10.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 1.0 110.018 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 81' ' ' ALA . 11.5 m -61.59 -66.47 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.0 108.312 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.3 mm? -48.67 -21.72 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 1.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.796 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -65.82 -70.38 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 1.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 85' ' ' LYS . 53.9 t -49.72 -61.3 2.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 1.0 108.282 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.414 ' ND1' ' HB3' ' A' ' 97' ' ' LEU . 13.1 m170 -39.1 -30.46 0.05 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.759 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 3.3 t -60.53 -49.01 79.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 1.0 109.994 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.629 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -67.55 -35.82 79.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 1.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 69.9 t -57.72 -48.2 84.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 1.0 109.333 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.93 -19.71 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 1.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 1.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.461 ' C ' HD23 ' A' ' 97' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.313 -0.625 . . . . 1.0 109.313 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.461 HD23 ' C ' ' A' ' 96' ' ' ASP . 13.0 mt -110.92 -25.6 9.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.183 . . . . 1.0 109.248 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 p -128.55 57.41 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 1.0 110.396 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -123.03 128.71 7.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.552 1.158 . . . . 1.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 106' ' ' HIS . 80.2 m -70.29 -29.86 66.71 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.316 -0.994 . . . . 1.0 108.316 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.72 172.7 12.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 1.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.02 49.0 9.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 1.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.58 -171.69 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.0 110.039 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -87.26 1.57 52.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 1.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.406 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -114.06 -50.6 2.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 1.0 108.284 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.402 ' CB ' ' O ' ' A' ' 100' ' ' CYS . 89.7 m-70 -118.71 83.33 22.02 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-N 114.981 -1.009 . . . . 1.0 109.752 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 29.0 Cg_exo . . . . . 0 N--CA 1.447 -1.226 0 C-N-CA 124.292 3.328 . . . . 1.0 109.619 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.13 123.05 84.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 1.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -72.07 129.81 15.69 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.313 3.342 . . . . 1.0 109.623 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -84.44 7.57 19.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 1.0 109.284 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.34 148.77 41.55 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 1.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -78.4 135.43 13.32 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.32 3.347 . . . . 1.0 109.65 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.3 m -107.72 131.52 57.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 1.0 109.257 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -71.46 143.2 50.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 1.0 110.335 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.4 t -121.18 68.31 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 1.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -40.41 129.4 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 1.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -118.89 -154.66 9.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 1.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.543 ' HA ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -55.71 -71.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.78 . . . . 1.0 109.984 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.408 ' N ' ' OG ' ' A' ' 14' ' ' SER . 5.9 tt0 -141.93 43.4 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 1.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.88 127.08 2.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 1.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.7 m -89.91 130.8 36.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 1.0 110.407 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.6 t -133.34 126.43 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 1.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -105.64 133.67 50.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 1.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.42 ' CE1' ' ND1' ' A' ' 25' ' ' HIS . 19.1 t80 -111.03 124.88 31.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 1.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.736 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 33.5 Cg_endo -87.61 138.48 4.51 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.301 3.334 . . . . 1.0 109.6 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -87.5 -33.43 18.99 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 124.129 0.893 . . . . 1.0 109.726 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.913 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.81 -54.95 19.55 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 1.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.913 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 26.5 Cg_exo -65.12 -5.46 11.04 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.27 3.313 . . . . 1.0 109.647 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.42 ' ND1' ' CE1' ' A' ' 20' ' ' PHE . 70.7 m80 -134.0 39.29 3.14 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 124.183 0.927 . . . . 1.0 109.783 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.75 6.36 45.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.0 110.297 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.41 -20.56 10.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 1.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.454 HG12 ' HB ' ' A' ' 32' ' ' THR . 21.6 t -86.32 128.06 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.03 137.05 17.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 1.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.7 m -49.45 -61.43 2.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 1.0 108.336 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' CYS . 3.5 p -40.71 -50.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 1.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.454 ' HB ' HG12 ' A' ' 28' ' ' VAL . 2.5 m -38.05 -30.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 1.0 110.427 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -112.88 -53.53 2.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 108.321 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -83.53 74.13 10.14 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.958 -1.019 . . . . 1.0 109.767 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 76' ' ' HIS . 2.8 p80 -50.63 161.28 0.35 Allowed 'General case' 0 CA--C 1.54 0.585 0 O-C-N 124.139 0.899 . . . . 1.0 109.753 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.637 ' N ' HD23 ' A' ' 36' ' ' LEU . 2.0 mt -84.78 156.33 21.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 1.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.6 t -123.77 112.93 34.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.584 1.178 . . . . 1.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t0 55.51 41.33 30.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 1.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.0 37.89 59.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.109 . . . . 1.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.76 124.64 24.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 1.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.35 127.68 7.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.605 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 45.6 t -139.89 150.96 45.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 42' ' ' SER . 60.0 m-85 -157.12 48.17 0.43 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.017 -0.992 . . . . 1.0 109.809 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.476 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -98.14 148.08 23.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 1.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -41.88 152.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 1.0 109.295 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -50.13 -38.26 38.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 1.0 108.332 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.64 61.29 0.36 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.488 1.118 . . . . 1.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.476 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 28.0 t -95.91 168.38 10.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 0.801 . . . . 1.0 110.01 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.1 m -52.08 132.47 32.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 1.0 110.024 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.68 43.28 94.49 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.111 . . . . 1.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 13.3 m -139.99 -145.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.3 -1.0 . . . . 1.0 108.3 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -90.92 72.27 6.5 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.749 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -122.04 46.13 2.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 1.0 109.266 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.17 94.65 2.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 1.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.543 HD13 ' HA ' ' A' ' 14' ' ' SER . 0.6 OUTLIER -94.35 18.39 11.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.08 -11.83 57.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 1.0 110.413 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.04 174.15 5.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 1.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.467 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -113.91 -11.7 12.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 1.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -172.6 135.94 0.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 1.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 154.27 158.31 8.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.133 . . . . 1.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.71 -14.7 15.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 1.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -112.15 43.11 1.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 1.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 t -135.29 141.62 45.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 1.0 110.017 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 39.0 tp -102.33 38.21 1.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 1.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.467 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 5.7 t80 -131.02 -36.49 1.33 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.036 -0.984 . . . . 1.0 109.818 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -87.76 -1.94 58.29 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 118.934 -0.555 . . . . 1.0 109.864 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.3 m -118.59 3.39 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 1.0 109.34 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -102.3 -46.47 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 1.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.672 ' O ' ' C ' ' A' ' 70' ' ' ALA . 23.3 m80 -97.69 -80.43 0.45 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.745 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 1.091 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 15.01 90.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.89 20.7 7.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 1.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.7 -153.74 28.52 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.556 1.16 . . . . 1.0 111.007 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.68 99.34 12.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 1.0 110.263 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.091 HD11 ' CB ' ' A' ' 70' ' ' ALA . 44.1 mt -107.57 176.48 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -46.35 77.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 1.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -114.83 -152.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 109.608 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.5 m -112.25 102.87 11.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 1.0 110.366 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.814 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -64.97 167.53 7.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 1.0 109.963 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 18.8 m -60.76 -67.44 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 1.0 108.281 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -49.02 -22.32 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 1.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.804 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.26 -70.34 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 1.0 109.309 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.422 ' O ' ' N ' ' A' ' 85' ' ' LYS . 49.6 t -50.13 -59.58 3.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 1.0 108.302 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.464 ' O ' HG23 ' A' ' 87' ' ' VAL . 12.2 m170 -40.44 -28.22 0.06 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.99 -1.004 . . . . 1.0 109.762 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 4.4 t -60.18 -46.32 90.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 1.0 109.988 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 82' ' ' CYS . 0.1 OUTLIER -71.36 -38.59 71.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 1.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.722 HG11 ' CD1' ' A' ' 97' ' ' LEU . 71.5 t -54.54 -37.36 38.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 1.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 83' ' ' HIS . 24.0 t -54.9 -29.23 21.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 1.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 1.0 109.325 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.57 ' C ' HD23 ' A' ' 97' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.722 ' CD1' HG11 ' A' ' 86' ' ' VAL . 6.2 mt -107.96 -28.8 9.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.3 p -126.03 57.18 1.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 1.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -115.75 126.93 7.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 1.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 82.3 m -72.55 -31.39 65.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.275 -1.009 . . . . 1.0 108.275 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.92 172.16 13.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 1.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 106' ' ' HIS . 0.1 OUTLIER 41.87 46.52 3.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 1.0 109.332 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.7 t -128.12 -167.56 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.83 0.6 55.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 1.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.408 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 0.9 OUTLIER -116.14 -50.07 2.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 1.0 108.312 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 102' ' ' LYS . 89.6 m-70 -118.07 83.22 19.01 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-N 114.943 -1.026 . . . . 1.0 109.76 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 39.1 Cg_exo . . . . . 0 N--CA 1.446 -1.28 0 C-N-CA 124.355 3.37 . . . . 1.0 109.61 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.279 -0.637 . . . . 1.0 109.279 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.94 122.12 81.06 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 1.0 109.274 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -76.44 124.02 7.45 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.305 3.337 . . . . 1.0 109.576 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.403 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.3 p30 -86.21 10.16 15.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.321 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.86 91.33 25.76 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 1.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.663 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 12.1 Cg_exo -40.64 140.05 1.12 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.29 3.327 . . . . 1.0 109.631 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.08 148.56 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 1.0 109.257 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -78.78 144.89 34.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 1.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.4 t -116.72 66.49 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 1.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp -39.79 133.73 1.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 1.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -125.3 -152.65 8.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 1.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.522 ' N ' ' CD2' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -61.0 -69.28 0.24 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 0.774 . . . . 1.0 110.029 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.449 ' N ' ' OG ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -147.31 47.45 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 1.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -167.63 99.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 1.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.6 m -70.9 133.62 46.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 1.0 110.411 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.6 t -137.86 127.09 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 1.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.0 ptp -102.51 140.03 37.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 1.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -115.46 124.45 30.04 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 1.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.746 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 30.8 Cg_endo -88.48 138.19 3.77 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.317 3.345 . . . . 1.0 109.571 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -87.17 -33.17 19.47 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.152 0.907 . . . . 1.0 109.727 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.915 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -48.22 -54.98 20.6 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 1.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.915 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 29.1 Cg_exo -64.6 -5.97 11.26 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.329 3.353 . . . . 1.0 109.584 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -134.17 39.7 3.08 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.151 0.907 . . . . 1.0 109.759 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.14 5.27 46.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 110.306 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -114.51 -20.22 10.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 1.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.4 t -86.1 123.4 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.07 138.72 4.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.091 . . . . 1.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 31' ' ' VAL . 5.3 m -53.02 -62.64 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 1.0 108.328 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.465 HG13 ' H ' ' A' ' 32' ' ' THR . 2.6 p -37.06 -55.26 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.465 ' H ' HG13 ' A' ' 31' ' ' VAL . 8.0 m -34.52 -39.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 1.0 110.426 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.64 -53.25 2.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 1.0 108.27 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.1 m-70 -84.33 71.11 10.69 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.03 -0.987 . . . . 1.0 109.763 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.682 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 3.2 p80 -46.82 160.53 0.08 Allowed 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.169 0.918 . . . . 1.0 109.794 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.08 152.28 24.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 1.0 109.301 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.5 t -120.86 112.04 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 1.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.12 39.09 25.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 1.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 60.23 30.45 70.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.142 . . . . 1.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -128.71 100.22 5.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.75 . . . . 1.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -44.21 126.1 4.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 1.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.3 t -140.05 157.35 45.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 1.0 109.967 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -142.25 56.31 1.46 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.992 -1.004 . . . . 1.0 109.827 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.649 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -98.82 142.22 30.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 1.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.77 152.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 1.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.36 -30.65 8.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 1.0 108.315 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -110.56 63.87 0.27 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.117 . . . . 1.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.649 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 25.2 t -102.54 168.65 9.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 1.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 84.8 p -52.18 131.67 32.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 1.0 109.974 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 55.18 52.13 49.34 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 1.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.0 m -146.97 -143.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -91.87 79.42 5.3 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.961 -1.018 . . . . 1.0 109.774 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -132.3 51.47 2.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 1.0 109.29 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.57 94.61 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' A' ' 14' ' ' SER . 4.6 tp -91.82 15.72 12.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.8 m -71.83 -19.08 62.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 1.0 110.419 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.8 162.94 13.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.556 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 14.8 mttt -103.09 -3.92 25.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 1.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -172.95 131.33 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 1.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.42 158.15 8.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.125 . . . . 1.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.81 -30.03 60.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 0.777 . . . . 1.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.56 32.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 1.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -131.0 136.08 48.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 1.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.458 ' HB3' HD13 ' A' ' 55' ' ' LEU . 45.1 tp -97.78 36.74 1.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 1.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.556 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 3.5 t80 -129.19 -33.62 1.93 Allowed 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.832 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -87.25 -3.13 59.03 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 118.895 -0.574 . . . . 1.0 109.846 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.5 m -118.69 4.86 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 1.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 t -105.28 -44.39 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 1.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.674 ' O ' ' C ' ' A' ' 70' ' ' ALA . 36.5 m80 -98.23 -81.71 0.43 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.021 -0.99 . . . . 1.0 109.765 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 1.077 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 14.77 89.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 1.0 109.306 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.423 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -91.55 20.66 5.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 1.0 110.317 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.57 -160.31 27.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 1.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -86.41 101.12 12.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 1.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.077 HD11 ' CB ' ' A' ' 70' ' ' ALA . 50.6 mt -108.72 175.91 5.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 1.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -55.03 -50.84 68.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 1.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.682 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 4.5 m-70 -106.98 -140.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 109.576 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.3 m -125.67 104.52 8.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 1.0 110.357 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.841 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -66.69 166.68 12.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 1.0 109.992 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.406 ' C ' ' N ' ' A' ' 81' ' ' ALA . 10.3 m -61.71 -66.27 0.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 1.0 108.337 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -48.82 -22.44 0.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 1.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.788 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.8 -70.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 1.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 85' ' ' LYS . 52.8 t -50.27 -62.17 1.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 1.0 108.313 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -38.23 -29.21 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.742 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 4.6 p -59.81 -50.17 74.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 1.0 109.975 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.524 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 6.8 tptt -66.91 -34.64 78.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 1.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.675 HG11 HD12 ' A' ' 97' ' ' LEU . 88.1 t -60.36 -50.0 82.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 1.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.704 HG21 ' CG2' ' A' ' 98' ' ' THR . 14.3 t -54.83 -19.58 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 1.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 1.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.469 ' C ' HD23 ' A' ' 97' ' ' LEU . 4.5 t0 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.303 -0.629 . . . . 1.0 109.303 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.675 HD12 HG11 ' A' ' 86' ' ' VAL . 6.0 mt -101.74 -16.34 16.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 1.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.704 ' CG2' HG21 ' A' ' 87' ' ' VAL . 1.4 p -138.7 41.58 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 1.0 110.405 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.62 127.57 9.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.556 1.16 . . . . 1.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 72.6 m -69.03 -28.16 66.32 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.312 -0.996 . . . . 1.0 108.312 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -149.05 172.98 13.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 1.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 42.86 43.02 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 1.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.7 p -123.71 -153.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 1.0 110.062 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -108.31 16.39 23.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 1.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.5 OUTLIER -128.59 -52.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 1.0 108.336 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -114.28 63.36 1.26 Allowed Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 115.032 -0.985 . . . . 1.0 109.747 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.413 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 28.4 Cg_endo . . . . . 0 N--CA 1.447 -1.241 0 C-N-CA 124.32 3.347 . . . . 1.0 109.605 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 4' ' ' VAL . 7.1 p -44.31 110.51 1.02 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 1.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -50.54 130.93 31.31 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.295 3.33 . . . . 1.0 109.606 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -90.74 9.26 30.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 1.0 109.292 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.46 92.48 43.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 1.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.578 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 11.4 Cg_exo -40.42 154.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.3 3.334 . . . . 1.0 109.613 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.86 148.76 20.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 1.0 109.317 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -81.79 147.57 29.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 1.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 13' ' ' GLY . 26.0 t -121.33 72.52 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 1.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -57.84 88.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 1.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 11' ' ' VAL . . . -62.0 -149.6 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 1.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -57.82 10.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 1.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.61 46.51 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.45 129.4 2.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 1.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 95.5 m -92.96 118.67 31.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 1.0 110.435 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 11' ' ' VAL . 36.0 t -128.55 126.0 64.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 1.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.54 135.13 45.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 1.0 110.995 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.464 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 25.8 t80 -112.27 123.32 34.5 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.705 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 39.7 Cg_endo -87.25 137.11 4.24 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.289 3.326 . . . . 1.0 109.583 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -87.39 -32.87 19.34 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.146 0.904 . . . . 1.0 109.788 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.926 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.73 -55.03 18.8 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 1.0 109.338 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.926 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 25.8 Cg_exo -64.99 -5.59 11.1 Favored 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.318 3.345 . . . . 1.0 109.569 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.464 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 68.4 m80 -132.39 38.56 3.45 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 124.147 0.905 . . . . 1.0 109.775 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.86 8.7 41.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 1.0 110.258 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -121.43 -2.98 9.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 1.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.0 t -103.6 122.65 56.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 1.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' A' ' 32' ' ' THR . 2.6 mt-10 -43.19 129.02 4.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 1.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 34' ' ' HIS . 7.8 m -46.81 -57.42 4.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 108.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 32' ' ' THR . 3.7 p -42.14 -48.46 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.432 ' CB ' ' O ' ' A' ' 29' ' ' GLU . 1.6 m -37.86 -40.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 1.0 110.407 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -103.21 -54.79 2.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 1.0 108.299 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 30' ' ' CYS . 99.0 m-70 -82.53 72.47 9.6 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.992 -1.003 . . . . 1.0 109.777 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.455 ' HB2' ' CD2' ' A' ' 76' ' ' HIS . 6.5 p80 -47.82 159.9 0.15 Allowed 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.098 0.874 . . . . 1.0 109.752 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.36 146.92 27.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 1.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.4 t -117.74 112.45 38.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 1.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t0 54.06 40.77 31.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 1.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.67 38.7 73.16 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.136 . . . . 1.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -136.0 101.05 4.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 1.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -43.56 124.52 3.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 1.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.0 t -139.51 157.56 45.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 1.0 110.027 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -145.67 56.08 1.2 Allowed 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.053 -0.976 . . . . 1.0 109.869 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.424 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -95.2 142.82 27.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -43.39 146.19 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 1.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.81 -32.7 3.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 1.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.65 61.57 0.35 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 1.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.424 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 27.6 t -100.39 167.67 10.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 1.0 110.016 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.6 m -57.9 137.38 56.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 1.0 110.014 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 55.68 46.03 83.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 1.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.5 m -145.35 -143.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.341 -0.985 . . . . 1.0 108.341 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -90.47 81.65 5.95 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.738 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -136.07 47.58 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 1.0 109.34 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -152.92 95.04 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.1 mt -94.79 17.98 12.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 1.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.71 -7.16 25.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 1.0 110.404 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.541 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -85.81 -52.97 5.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 1.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 3.7 tmtm? 90.6 -37.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 1.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.2 129.4 19.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 1.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 142.3 178.53 18.41 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.532 1.145 . . . . 1.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.07 15.94 4.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.78 . . . . 1.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -128.8 35.49 4.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 1.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -133.57 148.56 51.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 1.0 110.007 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.2 tp -107.05 40.45 1.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 1.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -132.39 -35.44 1.16 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.819 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -86.85 -1.62 57.94 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.923 -0.561 . . . . 1.0 109.831 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.4 m -119.39 3.18 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 1.0 109.343 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -103.68 -44.76 9.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 1.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.678 ' O ' ' C ' ' A' ' 70' ' ' ALA . 33.8 m80 -97.47 -81.42 0.43 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.045 -0.979 . . . . 1.0 109.76 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 1.064 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 13.97 91.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 1.0 109.264 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.41 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -93.81 21.86 6.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 1.0 110.284 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -101.93 -160.96 26.6 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.129 . . . . 1.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.41 100.43 11.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 1.0 110.278 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.064 HD11 ' CB ' ' A' ' 70' ' ' ALA . 63.8 mt -108.17 175.7 5.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 1.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -51.2 69.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.455 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 15.6 m80 -105.95 -139.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 1.0 109.578 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.3 m -126.71 105.49 8.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 1.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.854 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.55 166.56 14.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 1.0 109.976 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.41 ' C ' ' N ' ' A' ' 81' ' ' ALA . 8.7 m -61.48 -66.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 1.0 108.276 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -48.8 -21.89 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 1.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.777 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -66.68 -72.13 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 53.8 t -47.83 -63.15 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 108.315 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.434 ' ND1' ' HB3' ' A' ' 97' ' ' LEU . 15.6 m170 -36.77 -45.24 0.53 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.998 -1.001 . . . . 1.0 109.752 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 t -43.12 -42.5 4.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 1.0 109.965 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.2 ttmt -74.57 -45.34 46.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 1.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.648 HG11 ' CD1' ' A' ' 97' ' ' LEU . 94.1 t -52.69 -40.33 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 1.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 57.1 t -54.15 -23.18 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 1.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.708 ' C ' HD23 ' A' ' 97' ' ' LEU . 4.0 t70 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.311 -0.625 . . . . 1.0 109.311 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.708 HD23 ' C ' ' A' ' 96' ' ' ASP . 6.1 mt -111.54 -21.89 11.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 1.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.5 p -118.38 -139.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 110.385 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.86 131.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.142 . . . . 1.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 84.1 m -75.21 -30.5 60.62 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.314 -0.995 . . . . 1.0 108.314 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.74 164.36 25.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 1.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 52.75 59.63 4.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 1.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.0 p -142.61 -175.51 4.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 1.0 109.985 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -89.96 4.35 50.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 1.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -113.34 -49.25 2.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 1.0 108.282 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -121.09 83.12 37.87 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 114.951 -1.022 . . . . 1.0 109.755 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo . . . . . 0 N--CA 1.448 -1.188 0 C-N-CA 124.274 3.316 . . . . 1.0 109.561 179.884 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.4 123.7 85.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 1.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -71.48 120.67 7.1 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.311 3.341 . . . . 1.0 109.589 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -83.53 6.57 19.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 1.0 109.32 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -105.38 152.34 39.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 1.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -76.39 138.79 20.16 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.319 3.346 . . . . 1.0 109.611 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.6 m -124.22 129.52 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 1.0 109.257 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.86 144.53 31.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.2 t -117.92 67.04 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 1.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.37 102.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 1.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.48 -150.34 9.98 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 1.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -67.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 1.0 109.98 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.33 44.51 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 1.0 110.272 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -160.48 135.6 7.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.6 m -97.61 128.88 44.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 1.0 110.385 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.0 t -135.46 126.65 45.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 1.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -98.73 135.84 39.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 1.0 110.961 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -119.54 116.45 33.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 1.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.761 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 79.6 Cg_endo -85.32 138.92 6.73 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.296 3.331 . . . . 1.0 109.6 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -87.65 -30.76 20.18 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.18 0.925 . . . . 1.0 109.815 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.906 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.82 -54.29 24.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 1.0 109.255 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.906 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 37.9 Cg_exo -64.37 -5.64 10.23 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.332 3.355 . . . . 1.0 109.572 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 63.6 m80 -133.2 38.66 3.31 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 124.109 0.881 . . . . 1.0 109.811 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 6.8 tt0 -97.51 5.11 50.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 1.0 110.317 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.6 -5.19 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.6 t -101.52 118.38 48.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 1.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.427 ' O ' ' HB ' ' A' ' 32' ' ' THR . 5.5 mp0 -42.77 144.96 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 1.0 110.338 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 34' ' ' HIS . 4.4 m -59.35 -64.67 0.86 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 1.0 108.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.542 HG13 ' H ' ' A' ' 32' ' ' THR . 3.1 p -38.7 -57.61 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 1.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.542 ' H ' HG13 ' A' ' 31' ' ' VAL . 16.6 m -35.77 -32.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 1.0 110.428 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -107.42 -57.09 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 1.0 108.303 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 30' ' ' CYS . 96.6 m-70 -81.74 72.21 8.78 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.99 -1.005 . . . . 1.0 109.722 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.552 ' HB2' ' CD2' ' A' ' 76' ' ' HIS . 1.7 p80 -42.07 160.55 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 O-C-N 124.112 0.882 . . . . 1.0 109.704 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.33 151.68 22.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 1.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 79.5 t -115.81 113.5 43.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 1.0 109.346 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 55.54 41.46 30.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 1.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.5 31.39 77.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.107 . . . . 1.0 110.982 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.66 129.61 35.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.763 . . . . 1.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.75 147.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 1.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.412 ' O ' ' CG ' ' A' ' 43' ' ' TYR . 4.1 t -142.91 141.63 31.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 1.0 110.016 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.412 ' CG ' ' O ' ' A' ' 42' ' ' SER . 97.2 m-85 -157.93 43.9 0.31 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.992 -1.004 . . . . 1.0 109.863 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' LYS . . . -105.52 149.31 26.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -40.06 144.93 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 1.0 109.265 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.484 ' SG ' HD11 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -49.25 -24.94 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 1.0 108.282 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -117.96 66.69 0.35 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.561 1.163 . . . . 1.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.2 t -100.85 167.46 10.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 0.754 . . . . 1.0 110.03 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.31 131.21 37.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 1.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.44 38.82 96.93 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 1.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.2 m -136.51 -145.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -89.31 82.1 6.56 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.001 -1.0 . . . . 1.0 109.734 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -133.1 54.77 1.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 1.0 109.254 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.13 96.49 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 1.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.461 ' N ' HD12 ' A' ' 55' ' ' LEU . 6.3 mp -97.42 19.95 12.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -97.43 -7.05 32.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 1.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.54 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -86.47 -50.47 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 1.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 2.2 tppt? 90.34 -21.02 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 1.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -161.96 134.39 5.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 1.0 109.338 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 140.26 175.77 14.67 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 1.0 111.012 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.31 10.87 6.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 1.0 110.262 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.71 33.66 5.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 1.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -132.91 151.55 52.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 1.0 110.028 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.484 HD11 ' SG ' ' A' ' 46' ' ' CYS . 43.9 tp -110.03 42.39 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -134.36 -36.2 0.89 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.816 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.435 ' O ' ' CD2' ' A' ' 66' ' ' TYR . 84.0 t80 -87.01 4.18 42.94 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 118.918 -0.563 . . . . 1.0 109.84 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.4 m -124.47 1.2 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 1.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -103.32 -46.53 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 1.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.682 ' O ' ' C ' ' A' ' 70' ' ' ALA . 38.0 m80 -94.16 -80.81 0.39 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.96 -1.018 . . . . 1.0 109.775 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 1.069 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 12.15 92.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.412 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -94.84 21.27 7.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 1.0 110.269 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.12 -157.75 25.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.113 . . . . 1.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -83.87 105.12 14.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 1.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.069 HD11 ' CB ' ' A' ' 70' ' ' ALA . 79.6 mt -113.47 -178.91 3.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 1.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -50.38 71.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 1.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.552 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 18.9 m80 -108.8 -139.71 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.0 109.588 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.2 m -124.16 104.68 8.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 1.0 110.38 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.855 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.35 165.96 15.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 1.0 109.96 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.417 ' C ' ' N ' ' A' ' 81' ' ' ALA . 9.2 m -61.47 -66.86 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 1.0 108.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -48.42 -22.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 1.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.797 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -65.16 -69.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 1.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 85' ' ' LYS . 47.7 t -51.73 -61.84 2.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 1.0 108.292 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -37.75 -29.69 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.74 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' CYS . 5.6 t -59.3 -49.05 79.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 1.0 110.056 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.547 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -68.21 -37.05 80.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.479 HG11 HD12 ' A' ' 97' ' ' LEU . 80.7 t -57.0 -48.07 82.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 1.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.786 HG21 HG21 ' A' ' 98' ' ' THR . 24.2 t -55.58 -20.46 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 1.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.497 ' OD2' ' CG ' ' A' ' 104' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.311 -0.625 . . . . 1.0 109.311 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.479 HD12 HG11 ' A' ' 86' ' ' VAL . 7.8 mt -101.68 -15.06 17.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.786 HG21 HG21 ' A' ' 87' ' ' VAL . 1.2 p -136.58 38.46 2.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 1.0 110.41 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.64 130.92 10.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 1.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 76.8 m -70.06 -29.91 67.03 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.81 170.9 15.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 1.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 47.27 39.34 8.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 1.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 94.5 p -121.64 -168.31 1.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 1.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.497 ' CG ' ' OD2' ' A' ' 96' ' ' ASP . 0.1 OUTLIER -92.52 7.15 44.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 1.0 109.329 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -118.07 -54.12 2.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 1.0 108.336 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -113.44 65.04 1.08 Allowed Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.779 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.415 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 42.6 Cg_endo . . . . . 0 N--CA 1.448 -1.188 0 C-N-CA 124.267 3.311 . . . . 1.0 109.577 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.255 -0.646 . . . . 1.0 109.255 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.0 p -53.36 125.51 43.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 1.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.548 ' HG2' ' ND1' ' A' ' 22' ' ' HIS . 43.0 Cg_endo -69.68 125.47 12.22 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.328 3.352 . . . . 1.0 109.566 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.6 p30 -85.39 9.09 16.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 1.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.22 147.44 44.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 1.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -79.37 126.31 6.79 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.303 3.335 . . . . 1.0 109.583 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.0 m -101.35 141.79 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.0 109.327 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.36 141.39 50.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 1.0 110.262 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 12' ' ' LYS . 34.0 t -114.57 64.81 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 1.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 11' ' ' VAL . 6.8 mmtt -39.37 146.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 1.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -144.44 -149.87 5.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.447 1.092 . . . . 1.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -57.36 -73.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 1.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.427 ' N ' ' OG ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -146.03 46.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 110.325 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.557 ' HD2' ' CE1' ' A' ' 106' ' ' HIS . 0.2 OUTLIER -162.4 110.28 1.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 1.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.6 m -81.77 134.78 35.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 1.0 110.355 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.4 t -139.43 127.46 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 1.0 109.284 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -103.16 136.6 42.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -117.63 122.91 30.26 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 1.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.741 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 34.4 Cg_endo -87.39 137.95 4.47 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.302 3.335 . . . . 1.0 109.589 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.548 ' ND1' ' HG2' ' A' ' 5' ' ' PRO . 4.7 m80 -87.45 -33.11 19.16 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 124.134 0.896 . . . . 1.0 109.785 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.924 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.71 -54.87 19.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 1.0 109.243 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.924 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 26.2 Cg_exo -65.02 -4.95 9.86 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.313 3.342 . . . . 1.0 109.586 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -133.65 38.75 3.23 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 124.159 0.912 . . . . 1.0 109.78 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.539 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 10.6 tt0 -101.4 7.69 42.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 1.0 110.311 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.45 -4.8 10.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 1.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.2 t -102.47 117.68 48.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 1.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.548 ' OE1' HG12 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -39.5 134.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.075 . . . . 1.0 110.323 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.6 m -49.77 -61.13 2.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 1.0 108.315 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.548 HG12 ' OE1' ' A' ' 29' ' ' GLU . 7.6 p -40.27 -52.93 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 1.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.478 ' N ' HG13 ' A' ' 31' ' ' VAL . 3.7 m -36.9 -32.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -110.4 -54.22 2.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 1.0 108.283 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -83.61 75.25 10.06 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.008 -0.996 . . . . 1.0 109.782 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -48.65 159.71 0.22 Allowed 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.118 0.886 . . . . 1.0 109.778 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.42 150.74 25.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 1.0 109.286 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.2 t -124.56 113.07 34.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 1.0 109.248 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 52.83 40.69 31.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 1.0 109.279 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.01 31.39 61.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.118 . . . . 1.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.45 93.13 3.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.787 . . . . 1.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -44.25 124.19 3.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 1.0 110.317 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.2 t -134.21 158.55 43.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 1.0 110.035 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -142.89 56.72 1.41 Allowed 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.029 -0.987 . . . . 1.0 109.854 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.86 148.7 23.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -39.98 142.8 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 1.0 109.254 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.58 -36.57 35.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 1.0 108.313 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.09 51.43 0.96 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 1.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.35 154.34 42.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 1.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.0 98.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 1.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.81 -40.35 2.35 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 1.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 55.6 m -63.53 -129.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.317 -0.994 . . . . 1.0 108.317 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -86.04 72.13 10.48 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.999 -1.001 . . . . 1.0 109.772 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -126.81 51.49 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 1.0 109.318 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -150.95 90.67 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 1.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 14' ' ' SER . 0.5 OUTLIER -97.69 20.49 11.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 1.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.56 -5.88 24.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 1.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -85.9 -49.64 7.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 1.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 11.8 tptm 90.65 -23.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 1.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -164.44 125.34 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 1.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 154.53 -177.99 31.57 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.106 . . . . 1.0 111.047 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -85.09 14.54 4.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 1.0 110.338 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 1.7 mttt -136.06 40.19 2.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 1.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -135.47 143.86 46.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 1.0 110.03 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.6 tp -101.94 38.67 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 1.0 109.353 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -131.5 -37.39 1.21 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.827 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -87.77 -2.0 58.33 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 118.944 -0.551 . . . . 1.0 109.861 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.7 m -118.69 2.32 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -101.79 -49.27 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 1.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.688 ' O ' ' C ' ' A' ' 70' ' ' ALA . 31.4 m80 -92.95 -80.13 0.38 Allowed 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.988 -1.006 . . . . 1.0 109.763 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.949 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 11.69 89.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 1.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.434 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -91.93 29.63 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 1.0 110.282 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.87 -164.23 18.57 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 1.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -79.14 102.03 8.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 1.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.949 HD11 ' CB ' ' A' ' 70' ' ' ALA . 86.4 mt -110.09 158.82 17.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 1.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -45.31 -31.78 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 1.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -123.68 -142.73 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 1.0 109.595 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.9 m -126.77 105.15 8.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 1.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.882 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -68.6 165.78 18.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 1.0 110.008 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 16.2 m -60.92 -67.03 0.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 1.0 108.329 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.96 -22.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 1.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.812 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -63.82 -70.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 1.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 85' ' ' LYS . 52.5 t -49.86 -60.01 3.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 1.0 108.27 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -40.39 -30.8 0.12 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.024 -0.989 . . . . 1.0 109.798 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -48.99 67.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 1.0 109.986 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -66.73 -38.65 87.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 1.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.4 t -59.89 -49.86 82.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 1.0 109.258 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.462 HG21 HG21 ' A' ' 98' ' ' THR . 3.3 t -53.96 -32.08 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 1.0 109.258 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.3 -0.63 . . . . 1.0 109.3 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 74.5 mt -106.65 -19.02 13.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 1.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.462 HG21 HG21 ' A' ' 87' ' ' VAL . 2.2 p -131.29 27.38 4.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 1.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.57 133.24 11.23 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.552 1.157 . . . . 1.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 68.2 m -69.08 -29.4 67.5 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.291 -1.003 . . . . 1.0 108.291 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -139.94 172.85 12.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 45.79 38.05 3.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 1.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.3 p -119.98 -177.29 3.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 1.0 109.948 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.29 -0.5 55.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 1.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -108.54 -49.46 3.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 1.0 108.31 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.557 ' CE1' ' HD2' ' A' ' 16' ' ' LYS . 91.6 m-70 -117.19 58.06 2.11 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.75 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 106' ' ' HIS . 55.5 Cg_endo . . . . . 0 N--CA 1.447 -1.238 0 C-N-CA 124.327 3.352 . . . . 1.0 109.621 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' ' 4' ' ' VAL . 8.7 p -59.46 116.72 17.51 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 1.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -45.86 135.08 13.95 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.315 3.343 . . . . 1.0 109.626 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -84.23 7.46 19.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 1.0 109.306 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.23 152.62 77.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 1.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -74.84 162.98 36.5 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.252 3.301 . . . . 1.0 109.615 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.13 144.32 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 1.0 109.28 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -82.85 145.99 29.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.0 110.325 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.0 t -120.59 69.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 1.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.76 141.41 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.68 -149.36 5.54 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 1.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.434 ' OG ' ' N ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -57.76 -74.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 1.0 110.024 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.434 ' N ' ' OG ' ' A' ' 14' ' ' SER . 0.7 OUTLIER -147.19 46.65 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 1.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -161.05 94.17 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 1.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.3 m -70.95 133.7 46.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 1.0 110.416 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.2 t -140.42 127.01 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 1.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.8 ptp -103.06 138.83 39.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 1.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -116.04 124.44 29.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 1.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.742 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 32.5 Cg_endo -87.85 138.6 4.36 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.278 3.319 . . . . 1.0 109.582 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -87.64 -33.26 18.89 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 124.1 0.875 . . . . 1.0 109.753 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.912 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.95 -54.82 21.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 1.0 109.311 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.912 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 26.1 Cg_exo -65.31 -5.19 10.72 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.323 3.349 . . . . 1.0 109.616 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -134.7 40.57 2.95 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 124.172 0.92 . . . . 1.0 109.762 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.18 9.74 39.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 1.0 110.314 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.3 -3.5 9.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 1.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.7 t -103.34 123.02 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 1.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 32' ' ' THR . 2.2 mt-10 -44.63 134.07 5.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 1.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.6 m -49.99 -59.32 3.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 1.0 108.274 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 32' ' ' THR . 7.4 p -39.48 -48.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 1.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.404 ' CB ' ' O ' ' A' ' 29' ' ' GLU . 2.0 m -38.71 -39.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 110.397 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -105.37 -54.95 2.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 1.0 108.284 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -82.77 72.87 9.84 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.989 -1.005 . . . . 1.0 109.761 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.523 ' HB2' ' CD2' ' A' ' 76' ' ' HIS . 5.2 p80 -48.53 160.55 0.16 Allowed 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.201 0.938 . . . . 1.0 109.765 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.41 147.53 29.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 1.0 109.321 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -121.21 113.09 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 52.71 41.24 31.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 1.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.96 35.08 62.71 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.55 1.156 . . . . 1.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -133.91 96.11 3.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 0.8 . . . . 1.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.34 123.03 3.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 1.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.7 t -137.86 158.68 43.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 1.0 109.959 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -140.95 56.35 1.56 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.939 -1.028 . . . . 1.0 109.814 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.47 144.92 25.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 1.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.48 149.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 1.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -36.0 29.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 108.285 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -107.71 62.69 0.29 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.479 1.112 . . . . 1.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.8 t -96.51 168.2 10.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.774 . . . . 1.0 110.005 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.8 p -53.39 128.28 27.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 61.73 51.76 55.24 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.153 . . . . 1.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.3 m -148.31 -142.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.329 -0.989 . . . . 1.0 108.329 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -90.77 82.91 5.69 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.026 -0.988 . . . . 1.0 109.763 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -134.42 48.94 2.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.078 . . . . 1.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -147.2 97.26 2.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.03 18.95 11.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 1.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.87 -38.53 8.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 1.0 110.414 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.549 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -55.79 -56.15 23.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 1.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.1 OUTLIER 91.11 -25.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 1.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.0 pttp -153.22 136.51 15.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 1.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.46 -179.38 17.8 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.571 1.17 . . . . 1.0 110.96 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.427 ' OE2' ' N ' ' A' ' 61' ' ' GLU . 3.7 pm0 -85.08 15.17 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 1.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -131.95 36.97 3.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 1.0 109.35 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -134.12 143.82 48.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 1.0 109.967 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 36.1 tp -101.65 37.74 1.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 109.298 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -131.54 -35.58 1.3 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.022 -0.99 . . . . 1.0 109.835 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -87.68 -0.79 57.38 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.861 -0.59 . . . . 1.0 109.822 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 m -120.47 1.89 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 1.0 109.321 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -102.3 -45.58 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 1.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.672 ' O ' ' C ' ' A' ' 70' ' ' ALA . 34.4 m80 -96.42 -81.19 0.42 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.773 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 1.068 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 14.97 85.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 1.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -85.14 13.39 6.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 1.0 110.324 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.93 -168.93 36.5 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 1.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -80.75 105.69 12.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 1.0 110.327 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.068 HD11 ' CB ' ' A' ' 70' ' ' ALA . 36.8 mt -112.06 173.81 6.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -49.5 -51.07 38.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 1.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.523 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 15.8 m80 -107.98 -139.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 1.0 109.59 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.2 m -125.78 104.76 8.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 1.0 110.449 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.823 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -66.78 166.5 13.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 1.0 109.974 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 81' ' ' ALA . 10.9 m -61.5 -67.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 1.0 108.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.3 mm? -48.24 -22.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.789 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.52 -70.53 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 1.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.1 t -50.54 -58.67 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 1.0 108.306 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -41.42 -28.19 0.11 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.797 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 2.4 t -58.67 -46.34 87.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 1.0 110.015 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -71.94 -39.3 69.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 1.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.666 HG11 HD12 ' A' ' 97' ' ' LEU . 72.5 t -53.96 -44.69 62.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 1.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.875 HG21 HG21 ' A' ' 98' ' ' THR . 24.2 t -54.75 -28.9 20.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 1.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 1.0 109.264 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.553 ' C ' HD23 ' A' ' 97' ' ' LEU . 73.7 m-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.276 -0.639 . . . . 1.0 109.276 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.666 HD12 HG11 ' A' ' 86' ' ' VAL . 6.5 mt -108.17 -10.05 15.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 1.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.875 HG21 HG21 ' A' ' 87' ' ' VAL . 5.5 p -140.13 38.43 1.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 1.0 110.399 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -102.36 127.99 9.4 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 1.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 73.4 m -70.14 -30.16 67.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.295 -1.002 . . . . 1.0 108.295 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -146.25 169.6 18.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 1.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 106' ' ' HIS . 39.6 mttt 45.11 49.51 9.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 1.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.9 p -132.18 -166.85 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.19 2.75 51.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 1.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.419 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -117.62 -53.63 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 1.0 108.283 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 102' ' ' LYS . 88.6 m-70 -115.29 81.64 8.5 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.756 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 53.4 Cg_exo . . . . . 0 N--CA 1.446 -1.269 0 C-N-CA 124.368 3.378 . . . . 1.0 109.573 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.307 -0.627 . . . . 1.0 109.307 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.59 120.35 51.81 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 1.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -74.94 125.5 9.4 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.282 3.321 . . . . 1.0 109.603 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 6' ' ' ASP . 15.0 p-10 -85.11 8.99 16.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 1.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.92 94.8 31.25 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 1.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.686 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 10.4 Cg_exo -39.42 142.62 0.4 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.274 3.316 . . . . 1.0 109.594 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.88 148.28 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 1.0 109.259 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.7 142.04 29.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 1.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' GLY . 49.1 t -119.85 68.0 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 1.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 80.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 1.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' VAL . . . -56.01 -110.14 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.525 1.141 . . . . 1.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.595 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -80.91 -65.81 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 1.0 110.011 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.64 -60.71 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 1.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.02 134.56 56.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 1.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.2 m -98.16 133.42 42.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 110.408 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.0 t -135.95 128.35 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 1.0 109.354 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.98 135.33 48.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 1.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.46 ' CE1' ' ND1' ' A' ' 25' ' ' HIS . 19.9 t80 -111.99 126.12 29.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 1.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.761 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 30.4 Cg_endo -88.51 138.93 3.95 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.32 3.347 . . . . 1.0 109.575 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -87.47 -33.13 19.13 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.145 0.903 . . . . 1.0 109.737 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.926 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -48.57 -54.93 22.15 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 1.0 109.275 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.926 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 28.7 Cg_exo -64.92 -5.82 11.47 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.358 3.372 . . . . 1.0 109.582 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.46 ' ND1' ' CE1' ' A' ' 20' ' ' PHE . 62.2 m80 -135.0 40.79 2.89 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 124.202 0.939 . . . . 1.0 109.757 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.45 7.39 42.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 1.0 110.321 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.67 -22.19 9.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.554 ' CG1' HG21 ' A' ' 32' ' ' THR . 20.1 t -85.4 122.31 38.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 1.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.439 ' O ' ' CB ' ' A' ' 32' ' ' THR . 1.2 mt-10 -45.67 137.73 5.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 110.299 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 31' ' ' VAL . 4.7 m -50.08 -58.73 4.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 1.0 108.322 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.439 HG13 ' N ' ' A' ' 32' ' ' THR . 14.4 p -37.88 -47.47 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 1.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.554 HG21 ' CG1' ' A' ' 28' ' ' VAL . 3.8 m -38.02 -49.06 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 1.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 m -97.27 -54.09 3.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 108.256 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -82.83 68.24 9.23 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.017 -0.992 . . . . 1.0 109.744 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.563 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 7.6 p80 -48.7 160.84 0.16 Allowed 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.148 0.905 . . . . 1.0 109.795 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.432 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -82.22 152.02 26.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 1.0 109.309 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 82.6 t -123.2 112.79 35.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 1.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 54.05 40.96 32.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 1.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.59 33.57 62.79 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.524 1.14 . . . . 1.0 111.054 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.68 103.09 6.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 1.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -44.8 129.2 7.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 1.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.525 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 37.6 t -142.75 158.78 43.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 1.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.525 ' CD1' ' C ' ' A' ' 42' ' ' SER . 41.1 m-85 -149.12 55.37 0.99 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.865 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.72 149.37 22.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 1.0 109.356 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -40.63 145.92 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 1.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.479 ' SG ' HD11 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -48.77 -24.78 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 1.0 108.297 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 45' ' ' LYS . . . -117.27 66.66 0.33 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.524 1.14 . . . . 1.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.4 t -101.84 168.79 9.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 1.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.1 p -55.62 131.23 45.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 1.0 110.025 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.02 33.76 88.06 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.532 1.145 . . . . 1.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 13.4 m -134.37 -146.54 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -92.01 73.88 5.57 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.99 -1.005 . . . . 1.0 109.744 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -122.71 52.17 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 1.0 109.302 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -152.14 95.72 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 1.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.595 HD22 ' N ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -92.8 17.84 9.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -98.28 -50.09 4.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 1.0 110.428 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.537 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -39.62 -54.22 2.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 1.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 90.14 -35.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 1.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -148.05 115.76 6.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 1.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.75 160.32 9.57 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 1.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.83 -17.91 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 1.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 1.5 mptt -99.55 36.17 1.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 1.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 t -131.42 135.48 47.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 1.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.479 HD11 ' SG ' ' A' ' 46' ' ' CYS . 45.8 tp -99.09 37.62 1.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 1.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -129.86 -34.24 1.74 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.864 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -86.16 -5.0 59.28 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 118.961 -0.542 . . . . 1.0 109.878 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.3 m -116.6 3.36 7.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 1.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 t -102.97 -45.87 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 1.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.694 ' O ' ' C ' ' A' ' 70' ' ' ALA . 44.5 m80 -95.66 -81.48 0.4 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.792 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.985 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 10.36 92.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 1.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.416 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -89.84 22.4 3.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 1.0 110.342 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -101.55 -171.85 28.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 1.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -77.63 95.77 4.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 0.757 . . . . 1.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.985 HD11 ' CB ' ' A' ' 70' ' ' ALA . 73.4 mt -101.15 157.42 16.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 1.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 74' ' ' LEU . 1.5 mmtp -39.72 -33.96 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 1.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 35' ' ' HIS . 5.9 t60 -122.07 -143.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 109.578 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.406 ' H ' ' CG ' ' A' ' 76' ' ' HIS . 16.6 m -125.7 104.48 8.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 1.0 110.447 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.869 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.76 168.48 11.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 1.0 110.003 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 18.3 m -62.96 -66.21 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 1.0 108.268 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.6 OUTLIER -48.95 -22.48 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 1.0 109.271 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.766 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -63.54 -70.9 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 1.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 85' ' ' LYS . 52.6 t -49.6 -61.95 1.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 1.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -38.2 -29.28 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.783 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 4.5 t -58.5 -49.05 78.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 1.0 110.02 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -68.3 -36.66 79.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 1.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.407 HG11 ' CD1' ' A' ' 97' ' ' LEU . 93.1 t -58.83 -49.08 84.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.718 HG21 ' CG2' ' A' ' 98' ' ' THR . 6.6 t -54.9 -19.62 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 1.0 109.244 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.528 1.142 . . . . 1.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.333 -0.617 . . . . 1.0 109.333 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.407 ' CD1' HG11 ' A' ' 86' ' ' VAL . 34.3 mt -94.0 -19.52 20.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 1.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.718 ' CG2' HG21 ' A' ' 87' ' ' VAL . 1.5 p -134.55 38.74 3.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 1.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.38 127.23 9.18 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 1.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 71.7 m -69.21 -30.98 69.26 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.83 166.77 24.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 1.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 46.61 44.76 13.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 1.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.14 -161.15 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 1.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -97.29 12.21 33.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 1.0 109.355 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.443 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.7 OUTLIER -127.21 -53.95 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 1.0 108.314 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -110.89 67.56 0.56 Allowed Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.767 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.443 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 43.6 Cg_endo . . . . . 0 N--CA 1.447 -1.219 0 C-N-CA 124.301 3.334 . . . . 1.0 109.615 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.358 -0.608 . . . . 1.0 109.358 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.85 122.5 79.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 1.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -72.75 123.41 8.97 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.294 3.329 . . . . 1.0 109.618 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.41 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 23.9 p-10 -87.06 11.0 14.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.43 87.64 21.17 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 1.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.611 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 16.8 Cg_exo -42.42 148.86 0.37 Allowed 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.316 3.344 . . . . 1.0 109.616 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.33 148.17 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 1.0 109.313 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.59 146.99 27.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 1.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.0 t -123.74 75.38 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 1.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.9 90.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 1.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.32 -147.53 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 1.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -60.19 3.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 1.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -148.51 47.23 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 1.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.39 111.44 1.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 1.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 91.9 m -79.47 129.12 34.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 1.0 110.396 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 t -140.01 126.54 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 1.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -107.79 134.23 51.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 1.0 111.017 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.476 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 23.8 t80 -110.86 123.41 35.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 1.0 110.956 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.785 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 32.6 Cg_endo -87.98 140.1 4.78 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 124.315 3.344 . . . . 1.0 109.564 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -87.3 -34.34 18.92 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.107 0.88 . . . . 1.0 109.754 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.937 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -48.28 -55.19 19.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 1.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.937 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 31.6 Cg_exo -62.78 -6.93 10.03 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.3 3.333 . . . . 1.0 109.599 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.476 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 69.9 m80 -132.9 40.78 3.21 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 124.161 0.913 . . . . 1.0 109.754 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.565 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 24.6 tt0 -101.18 6.43 43.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 1.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -122.03 -0.78 9.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 1.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.1 t -102.31 125.47 56.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 1.0 109.249 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -44.68 126.49 5.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 1.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.8 m -47.65 -60.64 2.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.127 . . . . 1.0 108.274 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.658 HG23 HD21 ' A' ' 36' ' ' LEU . 2.9 p -39.63 -52.06 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 1.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 31' ' ' VAL . 2.8 m -36.93 -35.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 1.0 110.417 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.13 -51.44 2.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 1.0 108.285 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -84.84 65.53 9.2 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.751 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -43.06 159.83 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.606 0 O-C-N 124.178 0.924 . . . . 1.0 109.759 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.682 ' N ' HD23 ' A' ' 36' ' ' LEU . 1.4 mt -84.02 148.35 26.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.4 t -117.52 112.49 39.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 1.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 54.5 40.75 32.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 1.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.03 40.09 72.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.545 1.153 . . . . 1.0 111.044 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -127.7 113.56 16.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 1.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.85 98.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 1.0 110.318 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -126.21 157.35 38.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 1.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -139.21 54.08 1.72 Allowed 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.041 -0.981 . . . . 1.0 109.804 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.66 140.57 30.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 1.0 109.335 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.34 145.51 47.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 1.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.83 174.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 1.0 108.276 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.57 47.98 56.46 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.472 1.107 . . . . 1.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.0 t -115.08 167.58 10.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 1.0 109.957 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 t -64.67 130.3 43.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 1.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.406 ' C ' ' SG ' ' A' ' 51' ' ' CYS . . . 70.2 41.89 68.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 1.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.406 ' SG ' ' C ' ' A' ' 50' ' ' GLY . 17.6 m -150.81 -145.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.323 -0.992 . . . . 1.0 108.323 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -88.16 96.81 10.68 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.99 -1.004 . . . . 1.0 109.791 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -146.45 53.51 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 1.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.67 95.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 1.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.04 19.27 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 1.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.05 -6.23 28.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 1.0 110.395 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.55 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -84.74 -50.85 7.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 1.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.55 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 91.08 -27.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 1.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -155.1 136.32 13.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 1.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 137.01 178.71 16.05 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 1.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -84.01 13.27 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 0.744 . . . . 1.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -128.54 35.58 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 1.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -133.9 147.78 51.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 1.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 35.7 tp -105.91 40.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 1.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -133.2 -37.16 0.98 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.842 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -86.87 1.39 52.65 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.89 -0.576 . . . . 1.0 109.798 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.1 m -123.0 0.45 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 1.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -102.43 -45.26 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 1.0 109.245 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.682 ' O ' ' C ' ' A' ' 70' ' ' ALA . 35.7 m80 -96.2 -81.19 0.41 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.037 -0.983 . . . . 1.0 109.773 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 1.066 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 13.39 90.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 1.0 109.325 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.417 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -91.55 21.41 4.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 1.0 110.315 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -101.86 -161.33 26.71 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 1.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.37 102.69 12.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 1.0 110.308 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.066 HD11 ' CB ' ' A' ' 70' ' ' ALA . 59.4 mt -110.97 171.14 7.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 1.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -50.92 37.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 1.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -108.15 -139.7 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 1.0 109.609 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.2 m -125.96 104.68 8.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 1.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.861 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -66.22 166.6 11.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 1.0 110.061 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 81' ' ' ALA . 9.0 m -61.52 -66.16 0.58 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 1.0 108.262 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -48.73 -22.24 0.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 1.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.789 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -65.45 -71.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 1.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 85' ' ' LYS . 54.0 t -49.09 -65.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 1.0 108.257 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -34.41 -35.58 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.988 -1.006 . . . . 1.0 109.796 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 1.3 t -53.36 -50.75 64.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 1.0 110.004 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.59 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.8 mmtm -66.2 -37.32 85.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 1.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.535 ' CG1' ' CD1' ' A' ' 97' ' ' LEU . 91.3 t -59.35 -52.09 64.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 1.0 109.258 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.494 HG21 HG23 ' A' ' 98' ' ' THR . 3.0 t -54.35 -19.85 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 1.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 1.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.32 -0.622 . . . . 1.0 109.32 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.535 ' CD1' ' CG1' ' A' ' 86' ' ' VAL . 32.6 mt -94.32 -33.33 13.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 1.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.494 HG23 HG21 ' A' ' 87' ' ' VAL . 13.4 p -124.16 44.96 2.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 110.43 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.25 125.8 8.7 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.139 . . . . 1.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.3 m -70.28 -30.19 67.14 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.345 -0.983 . . . . 1.0 108.345 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.8 167.34 22.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 1.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.36 44.75 1.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 1.0 109.262 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.426 ' OG ' ' N ' ' A' ' 104' ' ' LYS . 3.1 p -119.56 -151.73 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 1.0 110.027 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -106.43 16.88 24.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 1.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.435 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -133.83 -52.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 1.0 108.272 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -111.67 66.4 0.68 Allowed Pre-proline 0 CA--C 1.54 0.569 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.749 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.435 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 29.9 Cg_endo . . . . . 0 N--CA 1.447 -1.239 0 C-N-CA 124.301 3.334 . . . . 1.0 109.588 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.305 -0.628 . . . . 1.0 109.305 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.86 124.36 57.52 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 1.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.15 130.93 19.69 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.298 3.332 . . . . 1.0 109.584 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -84.03 7.25 19.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 1.0 109.274 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.9 148.12 42.68 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 1.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -78.62 137.91 14.84 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.35 3.367 . . . . 1.0 109.581 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.47 131.99 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 1.0 109.296 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.19 143.53 52.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.3 t -124.62 71.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 1.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 94.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.5 -150.01 1.47 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 1.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -62.42 1.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 0.719 . . . . 1.0 110.048 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -146.0 46.55 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.93 125.83 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 1.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.7 m -93.61 120.04 33.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 1.0 110.391 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.4 t -129.24 126.22 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 1.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -99.86 136.86 39.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 1.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -117.21 122.85 30.65 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 1.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.761 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 34.5 Cg_endo -88.25 138.83 4.13 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.305 3.337 . . . . 1.0 109.622 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -87.63 -33.49 18.81 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 124.137 0.898 . . . . 1.0 109.783 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.917 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.61 -54.79 20.15 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 1.0 109.295 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.917 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 39.7 Cg_exo -63.93 -5.5 9.26 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.316 3.344 . . . . 1.0 109.598 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -134.32 40.19 3.03 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.115 0.885 . . . . 1.0 109.77 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.13 6.33 44.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 1.0 110.286 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.43 -21.57 10.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 1.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.464 HG12 ' HB ' ' A' ' 32' ' ' THR . 18.3 t -85.52 120.94 36.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 1.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.49 137.05 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 1.0 110.258 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' HIS . 7.5 m -49.39 -61.44 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 1.0 108.292 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 32' ' ' THR . 4.2 p -40.14 -52.18 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 1.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.464 ' HB ' HG12 ' A' ' 28' ' ' VAL . 2.9 m -37.09 -32.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 1.0 110.383 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -111.1 -54.72 2.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 1.0 108.32 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.4 m-70 -82.9 73.82 9.91 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 114.955 -1.021 . . . . 1.0 109.72 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.441 ' HB2' ' CD2' ' A' ' 76' ' ' HIS . 2.9 p80 -47.82 161.66 0.09 Allowed 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.148 0.905 . . . . 1.0 109.733 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.43 ' N ' HD23 ' A' ' 36' ' ' LEU . 5.1 mt -85.85 150.6 24.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 1.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.7 t -118.85 112.57 38.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 54.74 41.29 32.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 1.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.2 38.5 67.7 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 1.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.03 125.54 23.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 1.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -48.46 125.73 10.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.595 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 33.5 t -135.48 150.08 49.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 1.0 110.039 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 42' ' ' SER . 73.2 m-85 -156.97 46.53 0.41 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.01 -0.996 . . . . 1.0 109.802 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 45' ' ' LYS . . . -96.65 153.03 18.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 1.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' ALA . 1.5 mmtp -39.89 148.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.9 -32.91 15.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 108.332 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.21 65.97 0.31 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 1.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -98.45 168.26 10.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 0.777 . . . . 1.0 109.974 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.2 p -48.05 121.77 4.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 1.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.07 45.94 68.94 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 1.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 14.0 m -144.43 -145.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -92.66 73.92 5.03 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.766 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -126.73 53.89 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 1.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -159.39 94.55 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 1.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.791 HD21 ' HB3' ' A' ' 64' ' ' LEU . 4.2 mm? -90.56 15.32 11.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 1.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.8 m -72.19 -19.82 61.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 1.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.61 161.05 14.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 1.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.574 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 50.9 tttt -101.35 -4.3 27.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 1.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.67 132.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 1.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 155.95 157.4 8.27 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 1.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.74 -16.88 12.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 0.727 . . . . 1.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -108.95 39.31 2.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 1.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 t -134.47 139.47 45.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 1.0 109.982 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.791 ' HB3' HD21 ' A' ' 55' ' ' LEU . 44.4 tp -99.03 37.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 1.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 3.6 t80 -129.89 -34.53 1.71 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.962 -1.017 . . . . 1.0 109.849 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -87.57 -1.56 58.02 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 118.871 -0.585 . . . . 1.0 109.799 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.3 m -119.59 5.06 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 1.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -106.19 -42.92 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 1.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.684 ' O ' ' C ' ' A' ' 70' ' ' ALA . 36.3 m80 -98.91 -82.25 0.44 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.035 -0.984 . . . . 1.0 109.736 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.918 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 12.98 90.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 1.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.67 28.1 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 1.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.94 -166.92 20.68 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 1.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -78.43 102.52 7.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 0.793 . . . . 1.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.918 HD11 ' CB ' ' A' ' 70' ' ' ALA . 82.0 mt -110.0 157.59 19.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 1.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.71 -31.21 1.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 1.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.441 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 19.9 m80 -122.17 -142.46 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 1.0 109.553 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 28.4 m -128.99 104.76 7.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 1.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.87 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -69.12 166.73 17.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 1.0 109.985 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.412 ' C ' ' N ' ' A' ' 81' ' ' ALA . 6.1 m -62.15 -66.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 1.0 108.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -48.18 -23.05 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 1.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.784 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.05 -69.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 1.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 84' ' ' SER . 42.1 t -53.18 -62.54 1.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 1.0 108.313 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -37.95 -29.25 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.745 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 82' ' ' CYS . 3.1 p -58.2 -52.09 67.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 1.0 110.016 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 82' ' ' CYS . 0.1 OUTLIER -66.38 -36.66 83.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 1.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.567 HG11 ' CD1' ' A' ' 97' ' ' LEU . 54.6 t -54.0 -40.42 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 1.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.4 t -54.65 -28.48 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 1.0 109.253 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 1.0 109.255 -179.937 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.286 -0.635 . . . . 1.0 109.286 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.567 ' CD1' HG11 ' A' ' 86' ' ' VAL . 18.4 mt -113.18 -11.53 13.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.6 p -144.27 40.84 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.0 110.376 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.2 128.06 9.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 1.0 110.997 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 79.3 m -70.17 -31.84 69.51 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.413 ' O ' ' CG ' ' A' ' 102' ' ' LYS . . . -140.56 173.85 11.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 1.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER 46.5 31.44 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 1.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.5 t -114.85 179.91 3.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 1.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.557 ' HZ3' ' N ' ' A' ' 105' ' ' CYS . 0.0 OUTLIER -86.0 -3.25 58.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.557 ' N ' ' HZ3' ' A' ' 104' ' ' LYS . 0.8 OUTLIER -103.73 -39.17 6.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 1.0 108.306 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.557 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 81.5 m-70 -130.08 51.04 6.77 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 114.952 -1.022 . . . . 1.0 109.767 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 106' ' ' HIS . 28.7 Cg_endo . . . . . 0 N--CA 1.447 -1.223 0 C-N-CA 124.326 3.351 . . . . 1.0 109.589 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.284 -0.636 . . . . 1.0 109.284 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.6 p -42.8 128.4 3.13 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 1.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.689 ' HG2' ' ND1' ' A' ' 22' ' ' HIS . 25.7 Cg_endo -63.11 138.31 66.55 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.323 3.349 . . . . 1.0 109.573 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -94.96 25.42 4.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 1.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.486 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -152.63 146.82 18.56 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 1.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.486 ' HD2' ' CG ' ' A' ' 7' ' ' LYS . 57.1 Cg_endo -70.1 135.25 29.19 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.293 3.329 . . . . 1.0 109.64 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.7 m -104.39 144.37 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 1.0 109.262 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.52 140.82 44.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 1.0 110.289 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.1 t -121.21 69.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 1.0 109.311 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -43.62 127.22 4.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 1.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.61 -153.31 10.61 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.5 1.125 . . . . 1.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.7 -71.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 1.0 110.047 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.57 43.43 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 1.0 110.238 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -161.83 137.66 7.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 1.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.6 m -99.47 130.82 45.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.0 110.411 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.5 t -133.27 126.62 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 1.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.64 130.02 51.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 1.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.457 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 22.3 t80 -111.06 124.2 33.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 111.023 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.732 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 33.7 Cg_endo -87.97 138.65 4.29 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.367 3.378 . . . . 1.0 109.561 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.689 ' ND1' ' HG2' ' A' ' 5' ' ' PRO . 7.7 m80 -88.06 -32.68 18.63 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 124.135 0.897 . . . . 1.0 109.767 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.9 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.84 -54.27 25.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 1.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.9 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 27.6 Cg_exo -65.47 -4.97 10.46 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.307 3.338 . . . . 1.0 109.58 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.457 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 69.5 m80 -133.7 38.84 3.22 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 124.104 0.877 . . . . 1.0 109.739 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.56 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 8.4 tt0 -100.3 6.73 44.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.0 110.275 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -116.06 -9.19 11.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 1.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.409 HG12 ' HB ' ' A' ' 32' ' ' THR . 20.3 t -99.27 125.1 52.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 1.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.96 136.67 11.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 1.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 34' ' ' HIS . 7.1 m -49.58 -61.52 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 1.0 108.326 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 32' ' ' THR . 3.4 p -40.31 -52.2 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' VAL . 3.1 m -37.05 -34.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 1.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -108.35 -55.51 2.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 1.0 108.283 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.5 m-70 -82.1 74.79 9.05 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.957 -1.019 . . . . 1.0 109.713 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.476 ' CG ' ' CE1' ' A' ' 76' ' ' HIS . 3.5 p80 -48.47 161.64 0.12 Allowed 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.162 0.914 . . . . 1.0 109.78 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.52 155.36 21.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 1.0 109.34 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.7 t -120.73 113.54 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 1.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 57.21 41.65 26.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.22 33.5 70.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.568 1.168 . . . . 1.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -137.01 126.9 25.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 1.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -43.8 143.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 1.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.484 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -149.13 147.81 28.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 1.0 110.0 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.484 ' CD1' ' O ' ' A' ' 42' ' ' SER . 79.1 m-85 -154.72 43.1 0.49 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.019 -0.991 . . . . 1.0 109.818 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.13 148.41 22.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 109.336 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.95 144.23 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 1.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -47.02 -32.18 3.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 1.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.25 63.86 0.28 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.549 1.156 . . . . 1.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.8 t -97.93 168.4 10.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 0.745 . . . . 1.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.5 t -54.55 133.11 46.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 1.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.12 37.32 94.28 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 1.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.9 m -136.31 -145.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.27 -1.011 . . . . 1.0 108.27 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -89.57 80.33 6.69 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.76 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -129.91 55.86 1.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 1.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.61 89.37 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 1.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.08 -17.17 61.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 1.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' ALA . 1.8 m -72.09 -33.35 67.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 110.366 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.523 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -39.54 -62.55 0.67 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 1.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 89.95 -35.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 1.0 109.347 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.72 125.35 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 1.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.21 -178.18 29.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.125 . . . . 1.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.93 15.57 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 1.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -135.87 39.47 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 1.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -134.68 149.29 50.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 1.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 39.8 tp -106.58 40.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -132.42 -37.29 1.08 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.967 -1.015 . . . . 1.0 109.829 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -86.58 -4.45 59.17 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 118.843 -0.599 . . . . 1.0 109.782 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.4 m -115.58 2.58 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 1.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -100.47 -49.71 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 1.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.676 ' O ' ' C ' ' A' ' 70' ' ' ALA . 22.4 m80 -94.46 -79.7 0.42 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.76 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 1.043 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 14.56 90.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 1.0 109.275 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.37 21.8 5.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 1.0 110.33 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.72 -164.61 25.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 1.0 111.042 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.78 105.07 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.75 . . . . 1.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.043 HD11 ' CB ' ' A' ' 70' ' ' ALA . 74.7 mt -114.19 172.68 6.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 1.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -51.28 63.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 1.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.476 ' CE1' ' CG ' ' A' ' 35' ' ' HIS . 8.9 m80 -107.33 -139.37 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 1.0 109.604 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.3 m -126.23 103.97 7.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.849 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -65.13 167.09 8.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 1.0 110.007 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 14.7 m -62.43 -66.15 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 1.0 108.322 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.76 -21.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 1.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.769 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -65.5 -70.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 1.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 51.2 t -50.13 -57.81 6.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 1.0 108.321 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.639 ' O ' HG23 ' A' ' 87' ' ' VAL . 11.7 m170 -42.46 -31.34 0.42 Allowed 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 114.979 -1.01 . . . . 1.0 109.791 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 0.8 OUTLIER -58.4 -47.0 85.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 1.0 110.005 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.43 -38.84 74.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.596 HG11 ' CD1' ' A' ' 97' ' ' LEU . 72.2 t -53.89 -37.63 34.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.132 . . . . 1.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 83' ' ' HIS . 79.5 t -55.18 -23.8 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 1.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.323 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.428 ' C ' HD23 ' A' ' 97' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.296 -0.631 . . . . 1.0 109.296 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.596 ' CD1' HG11 ' A' ' 86' ' ' VAL . 12.1 mt -107.74 -26.77 10.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 1.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.2 p -125.32 56.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 1.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -116.57 128.38 7.91 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 1.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.1 m -72.32 -31.54 65.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.32 -0.993 . . . . 1.0 108.32 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 106' ' ' HIS . . . -149.77 172.63 14.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 1.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 44.68 41.52 5.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 1.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.9 p -124.71 -162.39 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 1.0 109.961 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -94.3 8.72 40.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 1.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.448 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.6 OUTLIER -122.41 -53.23 1.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 1.0 108.321 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.4 ' O ' ' HA ' ' A' ' 101' ' ' ALA . 92.5 m-70 -112.28 65.79 0.78 Allowed Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.775 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.448 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 58.7 Cg_endo . . . . . 0 N--CA 1.448 -1.198 0 C-N-CA 124.334 3.356 . . . . 1.0 109.546 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.286 -0.635 . . . . 1.0 109.286 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.1 p -62.94 121.4 68.44 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 1.0 109.306 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -76.2 125.46 8.54 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.336 3.357 . . . . 1.0 109.555 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.4 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 2.1 p30 -87.57 11.46 14.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 1.0 109.267 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.06 88.87 23.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.618 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 12.8 Cg_exo -41.2 144.01 0.67 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.344 3.362 . . . . 1.0 109.553 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.68 146.27 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 1.0 109.341 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.92 141.48 32.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 1.0 110.354 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 18' ' ' VAL . 13.4 t -118.45 79.3 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 1.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -65.61 98.44 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 1.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.61 -148.5 1.6 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 1.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -65.86 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 1.0 110.015 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -143.15 45.19 1.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 1.0 110.281 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.83 133.13 6.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 1.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.0 m -95.3 126.82 40.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 1.0 110.43 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 11' ' ' VAL . 40.5 t -132.69 125.99 53.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 1.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -105.48 134.56 48.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 1.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.419 ' CE1' ' ND1' ' A' ' 25' ' ' HIS . 19.2 t80 -113.22 124.46 31.42 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 1.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.752 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 34.2 Cg_endo -87.54 138.77 4.67 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.335 3.357 . . . . 1.0 109.59 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -87.18 -34.06 19.15 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 124.116 0.885 . . . . 1.0 109.736 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.927 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.74 -55.23 18.04 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 1.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.927 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 27.8 Cg_exo -64.57 -5.35 9.97 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.33 3.354 . . . . 1.0 109.609 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.419 ' ND1' ' CE1' ' A' ' 20' ' ' PHE . 72.6 m80 -134.39 40.16 3.02 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.149 0.906 . . . . 1.0 109.759 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.21 9.7 38.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -121.99 -3.2 9.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.4 t -102.5 124.62 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 1.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -43.7 127.23 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 1.0 110.307 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.4 m -45.74 -60.36 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 1.0 108.303 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.671 HG22 HD21 ' A' ' 36' ' ' LEU . 4.0 t -40.53 -51.86 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 1.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 31' ' ' VAL . 3.5 m -37.5 -31.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 110.372 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -110.99 -50.89 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 1.0 108.323 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -85.88 73.8 10.28 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.746 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -50.45 160.33 0.41 Allowed 'General case' 0 CA--C 1.539 0.538 0 O-C-N 124.131 0.895 . . . . 1.0 109.739 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.752 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -83.65 152.34 24.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 1.0 109.311 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.8 t -122.03 111.66 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 1.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 52.39 40.62 29.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 1.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.82 33.21 62.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 1.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -129.27 109.27 10.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 1.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -45.28 122.06 3.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 1.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.424 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 12.0 t -135.17 158.43 44.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 1.0 109.997 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.424 ' CD1' ' C ' ' A' ' 42' ' ' SER . 75.9 m-85 -152.45 56.17 0.81 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.044 -0.98 . . . . 1.0 109.819 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -110.32 151.03 27.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 1.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -53.31 153.32 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 1.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.9 m -53.44 -35.91 61.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 1.0 108.344 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.61 56.45 1.95 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.116 . . . . 1.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.8 t -104.91 166.83 10.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 1.0 109.965 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.1 p -51.66 121.38 6.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 1.0 109.99 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.61 55.57 24.41 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.535 1.147 . . . . 1.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.1 m -149.3 -142.9 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.354 -0.98 . . . . 1.0 108.354 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -92.25 84.6 5.24 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.026 -0.988 . . . . 1.0 109.758 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 14.6 p-10 -132.64 61.27 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.34 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -159.94 98.04 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 1.0 109.341 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.571 HD21 ' HB3' ' A' ' 64' ' ' LEU . 3.6 mm? -91.04 15.86 10.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 1.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -105.4 -43.48 4.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 1.0 110.389 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.539 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -37.75 -55.91 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 1.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.539 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER 90.5 -37.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 1.0 109.279 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -153.83 134.54 13.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 1.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 140.01 -177.9 20.23 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 1.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -85.33 15.68 4.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 1.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -133.64 38.54 3.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 1.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 t -135.39 142.89 45.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 1.0 110.015 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.571 ' HB3' HD21 ' A' ' 55' ' ' LEU . 44.6 tp -102.46 39.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 1.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.431 ' CE2' ' HE2' ' A' ' 58' ' ' LYS . 5.5 t80 -131.73 -35.31 1.28 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.835 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -88.02 -1.15 57.82 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.933 -0.556 . . . . 1.0 109.817 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.2 m -119.0 2.0 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 1.0 109.29 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.2 t -100.75 -48.68 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 1.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.676 ' O ' ' C ' ' A' ' 70' ' ' ALA . 27.3 m80 -94.53 -79.86 0.41 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.737 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.968 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 13.94 87.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 1.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.418 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -89.26 21.48 3.25 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.49 1.119 . . . . 1.0 110.279 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.93 -168.85 26.18 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 1.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -77.75 104.11 8.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 1.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.968 HD11 ' CB ' ' A' ' 70' ' ' ALA . 69.2 mt -110.5 166.15 11.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 1.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -31.38 23.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 1.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -124.0 -145.27 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.152 . . . . 1.0 109.589 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.7 m -124.36 104.89 9.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 1.0 110.403 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.829 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -68.8 166.51 17.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 1.0 109.988 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.41 ' C ' ' N ' ' A' ' 81' ' ' ALA . 17.4 m -61.53 -66.99 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 1.0 108.325 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -47.89 -22.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 1.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.804 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -63.82 -70.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 1.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 85' ' ' LYS . 49.7 t -49.59 -59.7 3.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 1.0 108.296 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.808 ' O ' HG23 ' A' ' 87' ' ' VAL . 12.4 m170 -40.29 -28.01 0.05 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.049 -0.978 . . . . 1.0 109.775 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 4.6 t -65.27 -50.77 64.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 1.0 109.986 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.48 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -66.09 -38.96 89.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 1.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 44.4 t -55.85 -46.15 79.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 83' ' ' HIS . 69.6 t -55.6 -27.03 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 1.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 1.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.285 -0.635 . . . . 1.0 109.285 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.7 mt -109.08 -25.26 10.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 1.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.601 HG21 HG21 ' A' ' 87' ' ' VAL . 3.9 p -129.17 36.69 4.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 1.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.09 130.67 10.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.109 . . . . 1.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 74.8 m -69.3 -29.86 67.81 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.298 -1.001 . . . . 1.0 108.298 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -140.0 173.13 11.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 1.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.6 mttt 44.31 46.41 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 1.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 71.7 p -129.99 -174.91 3.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 1.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -85.72 -6.24 59.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 1.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.1 m -104.51 -46.25 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 1.0 108.327 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -123.4 81.76 53.07 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 114.993 -1.003 . . . . 1.0 109.776 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo . . . . . 0 N--CA 1.447 -1.254 0 C-N-CA 124.336 3.357 . . . . 1.0 109.565 179.927 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.9 p -58.85 121.79 57.11 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 1.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.38 125.51 9.12 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.338 3.359 . . . . 1.0 109.622 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.4 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 6.5 p-10 -87.67 11.79 14.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 1.0 109.344 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.28 88.18 22.24 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 1.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.591 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 12.2 Cg_exo -41.3 143.24 0.84 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.342 3.361 . . . . 1.0 109.601 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.32 147.85 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 109.317 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.38 142.87 31.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 1.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' VAL . 19.3 t -117.32 71.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 1.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -59.34 95.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 1.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.71 -146.51 0.7 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 1.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -65.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 1.0 110.007 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.91 44.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 1.0 110.248 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.39 132.94 7.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 1.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.7 m -97.61 121.21 39.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 1.0 110.394 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 11' ' ' VAL . 47.2 t -127.57 126.19 66.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 1.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.0 ptp -103.41 134.13 47.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.429 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 21.1 t80 -112.73 124.92 30.78 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 1.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.739 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 32.9 Cg_endo -87.59 138.38 4.49 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.385 3.39 . . . . 1.0 109.57 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -87.92 -32.62 18.83 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 124.159 0.912 . . . . 1.0 109.76 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.919 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -48.74 -55.0 22.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.919 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 27.0 Cg_exo -64.75 -5.49 10.52 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.305 3.337 . . . . 1.0 109.619 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.429 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 70.1 m80 -133.91 39.13 3.16 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 124.105 0.878 . . . . 1.0 109.771 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.5 6.1 44.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 1.0 110.296 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.15 -19.77 10.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 1.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -86.46 125.13 40.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 1.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.4 133.89 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 1.0 110.3 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' VAL . 8.2 m -48.85 -61.77 1.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 1.0 108.293 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' CYS . 2.6 t -39.9 -51.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 1.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' VAL . 2.3 m -37.39 -35.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 1.0 110.432 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -107.43 -52.35 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 1.0 108.306 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -84.94 72.42 10.8 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.779 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.672 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 2.2 p80 -47.78 160.68 0.12 Allowed 'General case' 0 CA--C 1.54 0.567 0 O-C-N 124.13 0.894 . . . . 1.0 109.756 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.65 154.92 24.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 1.0 109.355 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.9 t -125.03 112.6 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 1.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 54.74 40.33 31.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 1.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.78 32.4 61.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 1.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.92 102.75 5.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 1.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -43.96 129.56 5.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.458 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 41.4 t -146.68 157.68 43.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 1.0 110.008 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 42' ' ' SER . 29.5 m-85 -143.32 56.77 1.38 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.827 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.529 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -96.93 149.23 22.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 1.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' ALA . 17.5 tttt -40.01 149.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 1.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -47.51 -38.06 13.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 1.0 108.29 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.32 63.85 0.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.1 . . . . 1.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.529 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 28.1 t -97.83 167.56 10.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 1.0 110.035 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' SER . 1.6 t -39.14 123.52 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 1.0 110.033 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.06 55.31 31.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 1.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 14.2 m -146.13 -145.76 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.277 -1.009 . . . . 1.0 108.277 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -94.73 82.15 3.89 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.94 -1.027 . . . . 1.0 109.77 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -134.05 54.33 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 1.0 109.283 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -158.41 93.08 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 1.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.473 ' N ' HD12 ' A' ' 55' ' ' LEU . 5.2 mp -89.79 14.38 12.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 1.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.0 m -71.47 -20.82 62.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 1.0 110.436 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.97 161.67 14.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 1.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.443 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -101.83 -4.69 25.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 1.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -171.79 132.75 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 150.25 157.89 7.96 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 1.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.64 -27.27 48.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 0.776 . . . . 1.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 54' ' ' ASP . 0.5 OUTLIER -94.67 33.13 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 1.0 109.268 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.4 t -131.76 137.08 48.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 1.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 48.2 tp -99.74 36.66 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.443 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 5.8 t80 -129.28 -34.71 1.83 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.949 -1.023 . . . . 1.0 109.814 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.621 ' O ' ' CD2' ' A' ' 66' ' ' TYR . 67.2 t80 -88.92 10.58 20.84 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.895 -0.574 . . . . 1.0 109.819 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.8 m -131.43 9.34 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 1.0 109.31 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.1 t -115.74 -49.02 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 1.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.697 ' O ' ' C ' ' A' ' 70' ' ' ALA . 48.4 m80 -89.48 -63.77 1.24 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 114.944 -1.026 . . . . 1.0 109.76 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.957 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . -6.19 109.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 1.0 109.307 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -103.83 17.5 23.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 1.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.54 -179.47 32.27 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.528 1.142 . . . . 1.0 111.031 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -71.55 94.23 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 1.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.957 HD11 ' CB ' ' A' ' 70' ' ' ALA . 44.7 mt -98.12 155.75 16.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 1.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -43.03 -28.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 1.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.672 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 8.9 m-70 -124.87 -142.63 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 1.0 109.621 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.9 m -131.18 106.24 8.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 110.38 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.807 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.01 166.47 13.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 1.0 109.968 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.4 ' C ' ' N ' ' A' ' 81' ' ' ALA . 13.8 m -62.17 -67.1 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 1.0 108.288 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -48.0 -23.26 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 1.0 109.338 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.19 -70.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 1.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 46.0 t -50.51 -55.52 15.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 1.0 108.328 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.848 ' O ' HG23 ' A' ' 87' ' ' VAL . 9.9 m170 -45.25 -25.65 0.4 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.975 -1.011 . . . . 1.0 109.724 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 2.5 t -61.18 -48.94 79.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 109.999 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 3.9 mmpt? -69.44 -37.14 77.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 1.0 109.272 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.51 HG11 ' CD1' ' A' ' 97' ' ' LEU . 85.4 t -56.57 -42.14 75.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 1.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 83' ' ' HIS . 98.2 t -54.47 -23.06 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 1.0 109.36 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.334 -0.617 . . . . 1.0 109.334 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.51 ' CD1' HG11 ' A' ' 86' ' ' VAL . 17.6 mt -111.59 -33.38 6.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.623 HG21 HG21 ' A' ' 87' ' ' VAL . 3.8 p -127.48 57.02 1.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 1.0 110.379 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -116.97 126.55 7.02 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 1.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.9 m -70.75 -30.21 66.66 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -147.67 163.66 35.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 1.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt 50.8 57.09 7.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 1.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.9 p -140.97 -153.56 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 1.0 109.971 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.61 16.11 24.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 1.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.23 -51.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.179 . . . . 1.0 108.29 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -118.72 82.65 20.64 Favored Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.755 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo . . . . . 0 N--CA 1.448 -1.204 0 C-N-CA 124.326 3.351 . . . . 1.0 109.598 179.867 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.31 -0.626 . . . . 1.0 109.31 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.5 p -46.77 121.83 6.91 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 1.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -75.95 127.02 9.75 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.343 3.362 . . . . 1.0 109.589 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 12.4 p-10 -87.98 11.06 16.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 1.0 109.313 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 92.06 27.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 1.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.699 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 12.6 Cg_exo -40.94 140.69 1.1 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.278 3.319 . . . . 1.0 109.614 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.02 147.32 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.0 109.284 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.4 ' O ' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -82.05 141.53 33.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 110.264 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLY . 33.9 t -119.87 68.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 1.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.55 80.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 1.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' VAL . . . -55.73 -109.87 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.113 . . . . 1.0 111.036 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.69 -65.37 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 1.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.97 -60.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 1.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 137.02 57.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 1.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.3 m -97.84 133.61 42.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 1.0 110.38 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.9 t -136.03 127.79 44.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 1.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.5 130.84 55.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 1.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.458 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 19.5 t80 -106.41 125.65 32.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 1.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.768 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 29.8 Cg_endo -88.85 139.42 3.83 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.29 3.326 . . . . 1.0 109.626 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -87.54 -33.6 18.88 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 124.164 0.915 . . . . 1.0 109.787 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.909 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -48.23 -54.8 22.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.909 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 38.3 Cg_exo -63.85 -6.35 10.77 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.357 3.372 . . . . 1.0 109.597 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.458 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 65.1 m80 -134.13 41.26 2.99 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 124.185 0.928 . . . . 1.0 109.793 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.24 5.84 46.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 1.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.98 -21.81 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 1.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.6 t -84.89 125.26 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 1.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.429 ' HB2' ' OG1' ' A' ' 32' ' ' THR . 6.9 mm-40 -50.11 137.73 17.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 1.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' VAL . 4.0 m -50.94 -58.33 6.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 1.0 108.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' CYS . 3.6 p -37.33 -50.02 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 1.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 31' ' ' VAL . 1.9 m -35.96 -53.11 0.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 1.0 110.363 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.9 m -92.29 -54.72 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 1.0 108.288 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.403 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.1 m-70 -82.08 67.95 8.28 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.768 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -48.14 160.37 0.15 Allowed 'General case' 0 CA--C 1.539 0.537 0 O-C-N 124.191 0.932 . . . . 1.0 109.801 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.23 150.96 28.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 1.0 109.278 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.1 t -122.85 112.67 34.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 1.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t0 54.09 40.78 31.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 1.0 109.254 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.11 34.69 62.68 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 1.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -133.77 102.13 5.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 1.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.2 128.19 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 1.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.461 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 30.9 t -140.97 156.47 46.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 1.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 42' ' ' SER . 49.4 m-85 -147.16 56.44 1.12 Allowed 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.834 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.47 145.51 26.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.409 ' C ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -39.84 144.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 1.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.407 ' SG ' HD11 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -49.35 -24.86 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 1.0 108.282 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 45' ' ' LYS . . . -116.07 65.17 0.32 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 1.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -105.53 168.88 8.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.76 . . . . 1.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.0 m -59.31 135.36 57.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 1.0 109.997 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.75 38.98 96.99 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 1.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 13.8 m -144.25 -145.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.32 -0.993 . . . . 1.0 108.32 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -92.71 78.72 4.81 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.767 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -125.28 57.27 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 1.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.442 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.4 OUTLIER -153.04 91.42 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 1.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.47 -10.29 56.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 1.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 m -71.63 -15.75 62.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 1.0 110.356 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.02 161.33 17.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 1.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.558 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -110.37 -15.45 13.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 1.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -174.12 138.59 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 1.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 146.3 157.26 7.24 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.595 1.185 . . . . 1.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -18.38 11.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 0.791 . . . . 1.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 2.6 mttp -105.25 35.02 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 1.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -131.75 134.19 45.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.158 . . . . 1.0 110.013 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.407 HD11 ' SG ' ' A' ' 46' ' ' CYS . 42.0 tp -95.59 34.42 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 1.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 2.3 t80 -127.1 -33.33 2.43 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.974 -1.012 . . . . 1.0 109.829 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -87.61 -2.75 58.83 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 118.882 -0.58 . . . . 1.0 109.84 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.3 m -119.57 5.24 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 1.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 t -106.17 -44.17 7.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 1.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.694 ' O ' ' C ' ' A' ' 70' ' ' ALA . 47.0 m80 -97.15 -81.72 0.42 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.044 -0.98 . . . . 1.0 109.795 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.977 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 10.73 90.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 1.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.16 24.78 2.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 1.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.05 -165.49 24.92 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 1.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -81.56 98.62 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 1.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.977 HD11 ' CB ' ' A' ' 70' ' ' ALA . 75.9 mt -105.36 157.93 16.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -42.87 -36.19 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -117.41 -142.14 0.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 1.0 109.623 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.5 m -128.7 103.97 7.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 1.0 110.434 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.876 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.41 167.36 12.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 1.0 110.029 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 12.8 m -62.14 -65.87 0.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 1.0 108.3 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.6 OUTLIER -49.5 -22.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 1.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.777 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.8 -69.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 85' ' ' LYS . 51.5 t -51.15 -60.57 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 1.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.412 ' O ' HG23 ' A' ' 87' ' ' VAL . 11.8 m170 -39.78 -33.01 0.17 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.743 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.09 -46.73 84.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 1.0 110.022 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 82' ' ' CYS . 0.8 OUTLIER -68.75 -36.82 78.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 1.0 109.283 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.536 HG11 ' CD1' ' A' ' 97' ' ' LEU . 92.8 t -59.2 -41.87 85.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 1.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 83' ' ' HIS . 32.9 t -54.88 -25.03 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 1.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 1.0 109.302 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.46 ' C ' HD23 ' A' ' 97' ' ' LEU . 1.6 t70 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.295 -0.631 . . . . 1.0 109.295 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.536 ' CD1' HG11 ' A' ' 86' ' ' VAL . 10.3 mt -106.58 -30.17 9.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 1.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 44.2 p -109.8 -143.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 1.0 110.412 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 64.18 133.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.52 1.137 . . . . 1.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.4 m -74.58 -29.92 61.51 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.286 -1.005 . . . . 1.0 108.286 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.86 166.52 22.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 1.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.29 44.79 24.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 1.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.2 p -130.08 -179.58 5.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 1.0 110.028 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.73 3.59 50.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 1.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.443 ' C ' ' CD ' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -109.06 -49.54 3.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 1.0 108.3 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.48 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 90.0 m-70 -118.05 55.59 2.16 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 115.068 -0.969 . . . . 1.0 109.771 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 106' ' ' HIS . 38.4 Cg_endo . . . . . 0 N--CA 1.447 -1.215 0 C-N-CA 124.359 3.372 . . . . 1.0 109.56 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.344 -0.613 . . . . 1.0 109.344 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.587 HG11 ' OE2' ' A' ' 26' ' ' GLU . 9.6 p -62.49 123.29 78.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 1.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -72.03 126.78 12.15 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.286 3.324 . . . . 1.0 109.617 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -76.62 -1.84 29.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 1.0 109.282 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -110.9 148.46 38.66 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 1.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -79.37 142.13 16.44 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.3 3.333 . . . . 1.0 109.584 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 m -105.05 142.72 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 1.0 109.366 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.49 141.03 34.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 1.0 110.273 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.4 t -122.46 69.53 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -52.65 103.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 1.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.17 -149.61 7.79 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.539 1.149 . . . . 1.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -67.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 1.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.04 43.74 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 110.25 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.27 137.56 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 1.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.5 m -98.53 128.11 44.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 1.0 110.41 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.7 t -131.28 125.92 57.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 1.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -101.88 130.44 48.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 1.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -112.5 123.01 34.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 1.0 110.996 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.701 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 35.1 Cg_endo -87.22 137.49 4.41 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.345 3.364 . . . . 1.0 109.56 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -88.03 -32.84 18.59 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.189 0.931 . . . . 1.0 109.753 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.946 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.53 -55.19 17.6 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 1.0 109.294 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.946 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 24.3 Cg_exo -64.94 -4.6 9.13 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.315 3.343 . . . . 1.0 109.622 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -133.47 38.39 3.28 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.178 0.924 . . . . 1.0 109.756 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.587 ' OE2' HG11 ' A' ' 4' ' ' VAL . 6.6 tt0 -102.08 8.4 40.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.0 110.307 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.56 -5.64 10.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 1.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.8 t -103.71 117.23 48.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 1.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -39.18 137.67 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 1.0 110.276 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' HIS . 5.3 m -51.93 -61.91 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 1.0 108.289 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.487 HG13 ' H ' ' A' ' 32' ' ' THR . 2.9 p -38.73 -55.71 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 1.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.487 ' H ' HG13 ' A' ' 31' ' ' VAL . 7.9 m -34.77 -35.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.0 110.394 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -106.16 -54.79 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 1.0 108.322 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.2 m-70 -83.33 68.66 9.77 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.986 -1.006 . . . . 1.0 109.776 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.538 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 2.1 p80 -40.39 159.18 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.1 0.875 . . . . 1.0 109.75 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.79 152.17 24.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 1.0 109.31 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.3 t -121.58 111.71 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 1.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.16 40.47 31.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 1.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.42 33.42 66.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 1.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.18 101.99 5.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 1.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -43.71 130.48 5.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 1.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.414 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 10.6 t -146.03 154.2 41.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.996 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.414 ' CD1' ' C ' ' A' ' 42' ' ' SER . 23.4 m-85 -140.39 54.75 1.61 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.891 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.13 145.3 24.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 1.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.403 ' C ' ' N ' ' A' ' 47' ' ' GLY . 2.5 ttmt -39.84 143.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 1.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -47.84 -27.06 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 1.0 108.299 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 45' ' ' LYS . . . -118.38 67.39 0.35 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.437 1.086 . . . . 1.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.2 t -107.04 165.87 11.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 1.0 109.978 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 m -51.73 136.06 28.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 1.0 110.041 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.41 41.84 98.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.416 1.072 . . . . 1.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.5 m -143.77 -143.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -93.19 82.79 4.56 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.064 -0.971 . . . . 1.0 109.736 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -129.5 55.67 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 109.273 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.5 OUTLIER -153.65 97.9 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 1.0 109.268 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 mt -95.08 18.65 11.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 1.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -108.56 -46.99 3.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 1.0 110.394 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.528 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -37.78 -59.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 1.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.1 OUTLIER 90.33 -37.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 1.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -143.14 128.63 19.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 1.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 145.22 178.44 20.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.477 1.111 . . . . 1.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -88.94 20.81 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 0.788 . . . . 1.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 11.1 mtmt -137.38 46.11 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 1.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 t -136.75 148.14 47.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 1.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.3 tp -105.32 40.3 1.56 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 1.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -132.77 -36.29 1.06 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.853 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.401 ' O ' ' CD2' ' A' ' 66' ' ' TYR . 81.2 t80 -88.25 2.19 52.86 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 118.883 -0.58 . . . . 1.0 109.813 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.2 m -121.77 5.12 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 1.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.1 t -105.61 -49.42 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 1.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.68 ' O ' ' C ' ' A' ' 70' ' ' ALA . 29.2 m80 -92.71 -79.63 0.39 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.997 -1.001 . . . . 1.0 109.721 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.926 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 13.08 90.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 1.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.46 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -90.54 26.72 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 1.0 110.335 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.27 -170.35 19.81 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 1.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.54 108.53 7.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 0.727 . . . . 1.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.926 HD11 ' CB ' ' A' ' 70' ' ' ALA . 80.1 mt -116.64 155.57 28.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 1.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -39.98 -30.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 1.0 109.317 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.538 ' CD2' ' HB3' ' A' ' 35' ' ' HIS . 12.0 t60 -126.17 -141.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 1.0 109.649 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.407 ' H ' ' CG ' ' A' ' 76' ' ' HIS . 6.4 m -128.24 104.34 7.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 1.0 110.385 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.842 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -66.58 166.18 13.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 109.995 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.413 ' C ' ' N ' ' A' ' 81' ' ' ALA . 12.2 m -60.47 -67.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.0 108.272 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.68 -22.52 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 1.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.814 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -65.21 -70.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 1.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 85' ' ' LYS . 51.8 t -48.81 -61.54 1.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 1.0 108.334 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.423 ' ND1' ' HB3' ' A' ' 97' ' ' LEU . 11.9 m170 -38.85 -29.01 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.749 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.432 ' OG ' ' NE ' ' A' ' 71' ' ' ARG . 2.7 t -68.11 -51.9 41.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 1.0 110.032 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 82' ' ' CYS . 7.1 mmtt -63.35 -32.62 74.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 1.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.7 t -65.86 -55.17 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 1.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.45 HG21 HG21 ' A' ' 98' ' ' THR . 3.4 t -54.41 -28.54 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 1.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 1.0 109.27 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 98' ' ' THR . 3.2 m-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.297 -0.631 . . . . 1.0 109.297 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.496 ' C ' ' CG2' ' A' ' 98' ' ' THR . 1.9 mt 68.47 4.52 4.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 1.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.496 ' CG2' ' C ' ' A' ' 97' ' ' LEU . 5.6 p -153.15 23.11 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 1.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.21 131.45 10.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 1.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 72.6 m -68.98 -28.87 67.01 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.296 -1.002 . . . . 1.0 108.296 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -147.16 171.51 15.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 1.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 106' ' ' HIS . 0.1 OUTLIER 41.04 45.96 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 1.0 109.253 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.5 t -126.26 -164.4 1.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 1.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.96 6.36 42.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 1.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.426 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 0.6 OUTLIER -123.24 -54.15 1.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 1.0 108.25 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 102' ' ' LYS . 92.2 m-70 -110.53 77.67 1.33 Allowed Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 115.017 -0.992 . . . . 1.0 109.785 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 57.2 Cg_endo . . . . . 0 N--CA 1.447 -1.248 0 C-N-CA 124.35 3.366 . . . . 1.0 109.592 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.314 -0.624 . . . . 1.0 109.314 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 4' ' ' VAL . 9.5 p -59.72 113.06 6.27 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -48.01 127.78 15.42 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.308 3.338 . . . . 1.0 109.611 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -88.03 3.77 47.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 1.0 109.312 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -123.07 96.23 44.98 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 1.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -38.64 146.91 0.13 Allowed 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.336 3.357 . . . . 1.0 109.549 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.72 147.43 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 1.0 109.288 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.05 141.95 28.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 1.0 110.318 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.5 t -118.07 83.67 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 1.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -71.36 92.1 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 1.0 109.35 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.06 -146.44 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 1.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.417 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -54.24 -65.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 1.0 109.996 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -146.12 44.19 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 1.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.18 124.77 4.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 1.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.2 m -90.53 129.09 36.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 1.0 110.379 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.5 t -135.23 125.36 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 1.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.2 mtm -96.71 137.73 35.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 1.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.609 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 6.2 t80 -123.34 97.77 42.23 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 1.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.557 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 16.5 Cg_exo -66.88 138.96 50.16 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.306 3.338 . . . . 1.0 109.581 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -84.45 -23.91 29.75 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 124.135 0.897 . . . . 1.0 109.747 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.945 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -50.35 -55.62 24.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 1.0 109.267 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.945 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 25.7 Cg_exo -63.12 -7.11 11.01 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.311 3.341 . . . . 1.0 109.601 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.437 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 51.2 m80 -132.62 40.57 3.26 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 124.174 0.921 . . . . 1.0 109.741 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.25 5.2 44.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 1.0 110.315 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -118.29 -18.29 9.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 1.0 109.279 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 t -85.38 128.8 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 1.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.46 136.92 19.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 1.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' VAL . 6.8 m -54.21 -63.58 1.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 1.0 108.305 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 32' ' ' THR . 7.5 p -38.9 -55.39 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 1.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.515 ' N ' HG13 ' A' ' 31' ' ' VAL . 10.1 m -35.2 -35.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 1.0 110.366 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -105.45 -55.03 2.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.175 . . . . 1.0 108.286 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -81.82 76.42 8.72 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.74 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.589 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 2.6 p80 -51.78 159.13 0.86 Allowed 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.141 0.901 . . . . 1.0 109.755 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.01 151.2 23.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 1.0 109.302 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.607 HG12 ' OD1' ' A' ' 38' ' ' ASP . 77.2 t -116.12 110.76 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.607 ' OD1' HG12 ' A' ' 37' ' ' VAL . 0.7 OUTLIER 52.0 40.0 27.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 1.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.16 31.29 76.33 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 1.0 110.991 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.73 100.26 6.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 1.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -50.17 119.94 4.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 1.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.2 t -143.68 159.36 42.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 1.0 110.014 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -139.33 55.03 1.69 Allowed 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.821 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.2 147.75 24.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 1.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.53 149.98 9.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 1.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.6 m -51.19 -31.78 21.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 1.0 108.296 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -95.07 55.11 1.83 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.463 1.102 . . . . 1.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.6 t -107.68 168.16 9.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 1.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.7 m -48.38 126.54 11.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 1.0 109.972 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 54.96 55.25 28.88 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 1.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 14.4 m -145.48 -145.5 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.278 -1.008 . . . . 1.0 108.278 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -94.88 87.45 4.98 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.731 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -138.73 54.62 1.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 1.0 109.324 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -152.8 99.88 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 1.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.417 ' CD1' ' HA ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -92.81 17.73 10.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 1.0 109.339 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.5 -47.69 3.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 1.0 110.345 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -39.24 -61.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 1.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 90.48 -31.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 1.0 109.314 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -143.75 139.77 29.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.157 . . . . 1.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 123.4 178.83 15.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 1.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.07 15.86 3.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 1.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 7.0 mmtt -124.56 34.18 5.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 1.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.2 t -132.17 139.98 48.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 1.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.9 tp -98.91 36.75 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 1.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -130.3 -34.33 1.63 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.007 -0.997 . . . . 1.0 109.805 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -86.97 -2.77 58.87 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 118.917 -0.563 . . . . 1.0 109.834 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.3 m -118.13 3.18 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 1.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 t -102.78 -46.12 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 1.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.668 ' O ' ' C ' ' A' ' 70' ' ' ALA . 31.3 m80 -97.34 -81.32 0.43 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.042 -0.981 . . . . 1.0 109.792 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 1.008 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 15.7 90.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 1.0 109.317 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.72 26.08 4.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 1.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -107.87 -159.3 20.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.449 1.093 . . . . 1.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.75 105.6 12.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 0.736 . . . . 1.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.008 HD11 ' CB ' ' A' ' 70' ' ' ALA . 81.9 mt -116.23 171.22 7.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -56.55 -50.78 70.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 1.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.589 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 6.8 m-70 -105.7 -139.34 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 1.0 109.546 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.2 m -127.61 104.67 8.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 1.0 110.373 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.862 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -66.83 166.98 12.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 1.0 110.027 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.402 ' C ' ' N ' ' A' ' 81' ' ' ALA . 11.2 m -61.36 -67.34 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 1.0 108.318 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -48.08 -23.39 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 1.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.78 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.24 -71.17 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 1.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 85' ' ' LYS . 54.1 t -49.9 -59.97 3.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 1.0 108.326 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.603 ' O ' HG23 ' A' ' 87' ' ' VAL . 12.4 m170 -40.36 -28.47 0.06 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.021 -0.991 . . . . 1.0 109.759 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 5.3 p -58.79 -45.14 90.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 1.0 110.02 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 82' ' ' CYS . 1.5 tppp? -73.5 -40.74 63.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 1.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.611 HG11 HD12 ' A' ' 97' ' ' LEU . 70.0 t -51.34 -42.62 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 1.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.615 HG21 HG21 ' A' ' 98' ' ' THR . 56.9 t -54.91 -27.44 18.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 1.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 1.0 109.287 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.303 -0.629 . . . . 1.0 109.303 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.611 HD12 HG11 ' A' ' 86' ' ' VAL . 10.7 mt -106.72 -9.64 16.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.615 HG21 HG21 ' A' ' 87' ' ' VAL . 8.3 p -138.53 38.13 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 1.0 110.442 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.27 127.7 9.2 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 1.0 111.049 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 73.6 m -69.48 -29.47 67.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -143.42 172.58 12.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 1.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.1 pttt 41.7 36.43 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 1.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 64.2 p -114.28 -170.46 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -89.75 5.66 45.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 1.0 109.238 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.411 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -118.77 -53.72 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 1.0 108.303 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -112.86 65.64 0.9 Allowed Pre-proline 0 CA--C 1.54 0.576 0 CA-C-N 114.987 -1.006 . . . . 1.0 109.752 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.411 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 51.9 Cg_endo . . . . . 0 N--CA 1.447 -1.234 0 C-N-CA 124.348 3.365 . . . . 1.0 109.558 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -46.02 123.55 6.54 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 1.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -71.35 129.35 15.79 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.321 3.347 . . . . 1.0 109.61 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -81.8 4.09 23.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 1.0 109.296 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.72 148.07 39.0 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 1.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -79.42 137.85 13.47 Favored 'Trans proline' 0 N--CA 1.448 -1.181 0 C-N-CA 124.286 3.324 . . . . 1.0 109.596 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -101.78 131.36 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 1.0 109.294 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.22 144.99 54.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 1.0 110.269 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -125.89 72.72 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 1.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -56.46 96.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 1.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.94 -151.16 2.58 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 1.0 111.049 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -62.29 1.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 1.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -146.47 46.34 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -163.41 130.02 3.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.2 m -93.84 127.6 39.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 110.381 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.3 t -136.16 125.81 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.36 135.0 43.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 1.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -114.89 122.95 32.72 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 1.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.733 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 35.3 Cg_endo -87.54 138.53 4.58 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.3 3.333 . . . . 1.0 109.552 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -87.84 -33.91 18.41 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 124.17 0.919 . . . . 1.0 109.761 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.935 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.17 -55.11 16.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 1.0 109.269 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.935 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 31.9 Cg_exo -64.1 -5.33 9.19 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.282 3.322 . . . . 1.0 109.583 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -133.85 39.15 3.17 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.148 0.905 . . . . 1.0 109.763 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.71 6.76 44.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 1.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.48 -21.29 10.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 1.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.463 HG12 ' HB ' ' A' ' 32' ' ' THR . 24.2 t -85.87 124.01 39.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -46.29 134.93 8.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 1.0 110.294 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.3 m -48.05 -61.58 1.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 1.0 108.281 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 33' ' ' CYS . 62.4 t -40.38 -51.98 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 1.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.463 ' HB ' HG12 ' A' ' 28' ' ' VAL . 2.3 m -37.0 -32.54 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 1.0 110.429 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -110.6 -53.69 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 1.0 108.275 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -83.97 73.02 10.4 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.027 -0.988 . . . . 1.0 109.787 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -47.66 160.34 0.12 Allowed 'General case' 0 CA--C 1.54 0.57 0 O-C-N 124.205 0.94 . . . . 1.0 109.746 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.18 155.82 22.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 1.0 109.309 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.4 t -118.4 112.49 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 1.0 109.333 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 t0 56.86 41.77 27.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 1.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.95 33.37 73.61 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.529 1.143 . . . . 1.0 111.031 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.25 126.95 27.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 1.0 109.333 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -43.23 143.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.097 . . . . 1.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.59 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -149.65 153.83 37.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 1.0 110.001 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.59 ' CD1' ' O ' ' A' ' 42' ' ' SER . 79.2 m-85 -159.47 47.93 0.3 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.99 -1.005 . . . . 1.0 109.873 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.441 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -100.65 147.42 26.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -42.65 152.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 1.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.83 -36.84 39.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 1.0 108.265 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -108.13 62.8 0.29 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.552 1.158 . . . . 1.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.441 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 28.2 t -98.28 167.1 11.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 1.0 110.025 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.7 p -49.3 129.36 18.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 1.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.79 48.88 82.94 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.163 . . . . 1.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.1 m -144.48 -145.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.256 -1.016 . . . . 1.0 108.256 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -89.93 76.43 7.08 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.983 -1.008 . . . . 1.0 109.78 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -127.43 57.18 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 1.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -161.54 92.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 1.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.418 HD11 ' HB3' ' A' ' 64' ' ' LEU . 9.6 mp -92.23 15.1 14.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 1.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -75.64 -17.03 60.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 1.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.08 162.24 13.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 1.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.503 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 0.2 OUTLIER -102.79 -7.64 21.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 1.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.39 134.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 1.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 151.81 157.54 7.97 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 1.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -59.59 -14.82 14.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 0.764 . . . . 1.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.53 39.62 1.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 1.0 109.252 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -135.85 140.82 44.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 1.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.418 ' HB3' HD11 ' A' ' 55' ' ' LEU . 43.8 tp -100.44 37.55 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 1.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.503 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 3.7 t80 -130.13 -33.98 1.7 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.831 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -87.77 -1.63 58.09 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 118.919 -0.562 . . . . 1.0 109.829 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.3 m -120.04 5.69 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 1.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -107.09 -43.22 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.684 ' O ' ' C ' ' A' ' 70' ' ' ALA . 40.8 m80 -98.39 -82.26 0.43 Allowed 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.005 -0.998 . . . . 1.0 109.747 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.95 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 12.68 89.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 1.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.59 21.95 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 1.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.24 -171.53 26.05 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.473 1.108 . . . . 1.0 111.029 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -75.38 103.34 5.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 0.721 . . . . 1.0 110.255 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.95 HD11 ' CB ' ' A' ' 70' ' ' ALA . 73.9 mt -109.83 160.8 16.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.81 -29.99 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 1.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -124.89 -144.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 1.0 109.589 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 22.6 m -126.09 103.97 8.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 1.0 110.351 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.859 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -68.18 166.33 16.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 1.0 110.031 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.415 ' C ' ' N ' ' A' ' 81' ' ' ALA . 7.8 m -61.42 -66.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.0 108.309 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.9 OUTLIER -48.27 -22.37 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 1.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.805 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.64 -70.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 1.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 84' ' ' SER . 50.7 t -50.74 -63.72 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 1.0 108.281 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -36.06 -31.43 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.975 -1.011 . . . . 1.0 109.734 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 5.1 t -55.99 -51.52 67.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 1.0 110.013 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' CYS . 1.0 OUTLIER -65.74 -36.68 84.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 1.0 109.325 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.482 ' CG1' HD12 ' A' ' 97' ' ' LEU . 87.1 t -58.95 -45.84 91.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 1.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.737 HG21 HG21 ' A' ' 98' ' ' THR . 8.7 t -54.7 -27.71 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 1.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 109.261 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.495 ' C ' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.277 -0.638 . . . . 1.0 109.277 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.495 HD23 ' C ' ' A' ' 96' ' ' ASP . 3.7 mt -100.44 -20.12 15.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 1.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.737 HG21 HG21 ' A' ' 87' ' ' VAL . 3.2 p -134.92 39.29 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 1.0 110.392 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -98.7 128.48 9.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 1.0 111.029 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 79.0 m -72.67 -30.81 64.58 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.32 -0.993 . . . . 1.0 108.32 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.423 ' C ' ' N ' ' A' ' 103' ' ' SER . . . -142.73 173.5 11.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 1.0 109.341 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.3 mttm 43.8 27.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 1.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 101' ' ' ALA . 43.5 p -106.56 -173.31 2.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 1.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.74 -7.23 58.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.093 . . . . 1.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.414 ' C ' ' CD ' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -104.51 -47.05 4.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 1.0 108.328 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.475 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 86.5 m-70 -119.92 55.77 3.76 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 115.007 -0.997 . . . . 1.0 109.748 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 106' ' ' HIS . 37.2 Cg_endo . . . . . 0 N--CA 1.447 -1.225 0 C-N-CA 124.333 3.355 . . . . 1.0 109.592 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.323 -0.621 . . . . 1.0 109.323 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.37 121.68 65.16 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 1.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -76.52 125.17 8.13 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.288 3.325 . . . . 1.0 109.569 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 3.8 p-10 -85.06 8.14 19.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 1.0 109.312 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -114.52 91.0 23.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.539 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 10.6 Cg_exo -39.95 147.27 0.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.334 3.356 . . . . 1.0 109.595 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.27 147.09 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 1.0 109.329 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.37 140.02 29.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 1.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.3 t -118.88 84.52 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 1.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt -89.54 94.4 9.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.422 ' C ' HD13 ' A' ' 55' ' ' LEU . . . -75.86 -131.38 0.35 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.455 1.097 . . . . 1.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.638 ' CB ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -57.96 -73.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 1.0 110.027 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.401 ' N ' ' OG ' ' A' ' 14' ' ' SER . 4.1 tt0 -145.81 46.69 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 1.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HD2' ' ND1' ' A' ' 106' ' ' HIS . 2.3 mmtt -153.25 103.95 2.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 1.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.7 m -78.38 134.19 37.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.0 110.394 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.2 t -145.41 126.9 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 1.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.34 134.26 47.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 1.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -115.28 123.73 31.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.787 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 33.5 Cg_endo -87.63 139.3 4.79 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.346 3.364 . . . . 1.0 109.619 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -87.34 -33.77 19.07 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.102 0.876 . . . . 1.0 109.774 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.92 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.76 -54.79 20.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 1.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.92 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 37.8 Cg_exo -64.09 -5.54 9.6 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.29 3.327 . . . . 1.0 109.601 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -134.6 39.65 3.01 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 124.147 0.904 . . . . 1.0 109.805 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 18.7 tt0 -100.2 4.85 44.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 1.0 110.317 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -113.69 -21.11 10.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 1.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.7 t -84.55 124.92 40.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 1.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -46.49 133.62 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 1.0 110.275 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 31' ' ' VAL . 8.4 m -48.78 -61.91 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 1.0 108.288 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 32' ' ' THR . 5.3 p -40.14 -51.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.441 ' N ' HG13 ' A' ' 31' ' ' VAL . 2.4 m -37.45 -35.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 1.0 110.42 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -107.05 -52.33 2.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 1.0 108.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -84.78 72.78 10.7 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.008 -0.996 . . . . 1.0 109.764 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 3.2 p80 -48.87 160.23 0.2 Allowed 'General case' 0 CA--C 1.54 0.568 0 O-C-N 124.207 0.942 . . . . 1.0 109.77 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.67 152.33 22.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 1.0 109.308 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.4 t -120.65 112.65 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 1.0 109.328 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t0 55.46 41.4 30.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 1.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.3 39.69 65.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 1.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.77 105.95 6.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 1.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -46.77 124.41 6.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 1.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.584 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -141.37 165.5 27.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 1.0 110.015 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 42' ' ' SER . 54.4 m-85 -154.38 55.72 0.7 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.997 -1.001 . . . . 1.0 109.859 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.62 147.96 23.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 1.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -45.04 153.01 0.21 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 1.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -41.86 61.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 1.0 108.284 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.39 58.02 1.16 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 1.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.9 t -92.23 166.84 12.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 0.794 . . . . 1.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.91 135.62 55.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 1.0 110.034 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.01 39.14 89.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 1.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.8 m -135.86 -143.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.364 -0.976 . . . . 1.0 108.364 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -89.77 76.94 7.14 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.038 -0.983 . . . . 1.0 109.757 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -129.3 52.17 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 1.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -152.92 92.29 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 1.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.638 HD22 ' CB ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -93.56 16.8 12.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 1.0 109.255 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 m -82.07 -15.49 53.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 1.0 110.433 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.41 169.02 8.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -109.29 -13.35 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 58' ' ' LYS . 10.1 mttp -162.87 135.79 5.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 1.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 145.69 157.64 7.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.444 1.09 . . . . 1.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -58.45 -18.46 28.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 1.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 1.3 mtpt -101.5 37.07 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -136.61 134.61 37.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 110.019 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.0 tp -96.44 35.91 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 1.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -128.27 -33.31 2.16 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.845 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -88.08 -1.48 58.03 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 118.874 -0.584 . . . . 1.0 109.794 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 m -120.64 4.97 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 1.0 109.291 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -104.03 -48.37 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 1.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.672 ' O ' ' C ' ' A' ' 70' ' ' ALA . 28.8 m80 -95.73 -78.62 0.45 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.987 -1.006 . . . . 1.0 109.77 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 1.068 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 14.66 90.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 109.307 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.481 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -96.54 26.56 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 1.0 110.282 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.02 -152.3 16.76 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.488 1.117 . . . . 1.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -88.99 104.95 17.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 0.752 . . . . 1.0 110.331 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.068 HD11 ' CB ' ' A' ' 70' ' ' ALA . 73.0 mt -114.81 176.54 5.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 1.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -50.44 73.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 1.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 7.4 m-70 -106.99 -140.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 1.0 109.599 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.8 m -126.07 104.56 8.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 1.0 110.394 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.839 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -66.08 167.01 10.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 1.0 110.041 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.403 ' C ' ' N ' ' A' ' 81' ' ' ALA . 13.2 m -61.51 -67.09 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 1.0 108.286 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -48.38 -22.45 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 1.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -65.51 -72.0 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 1.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 48.1 t -47.77 -57.44 5.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 1.0 108.323 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 1.013 ' O ' HG23 ' A' ' 87' ' ' VAL . 12.7 m170 -42.63 -37.21 1.63 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.021 -0.99 . . . . 1.0 109.724 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.415 ' OG ' ' NE ' ' A' ' 71' ' ' ARG . 8.6 t -64.28 -47.03 81.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 1.0 109.953 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 10.3 mmtt -66.14 -42.09 89.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 1.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.3 t -55.7 -37.36 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 1.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 1.013 HG23 ' O ' ' A' ' 83' ' ' HIS . 57.3 t -55.53 -26.34 19.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 1.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.7 mt -95.4 -17.31 21.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 1.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.3 p -136.42 37.74 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 1.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.31 128.6 9.62 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.508 1.13 . . . . 1.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 84.5 m -69.32 -27.94 65.81 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -146.66 172.18 13.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 1.0 109.252 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 mttt 42.29 43.18 2.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 1.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.3 p -123.32 -162.08 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 1.0 110.028 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -96.07 10.64 36.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 1.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.433 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.7 OUTLIER -124.93 -53.11 1.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 108.277 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.402 ' ND1' ' HD2' ' A' ' 16' ' ' LYS . 92.9 m-70 -112.15 66.51 0.79 Allowed Pre-proline 0 CA--C 1.54 0.561 0 CA-C-N 115.03 -0.987 . . . . 1.0 109.78 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.433 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 73.7 Cg_endo . . . . . 0 N--CA 1.447 -1.223 0 C-N-CA 124.325 3.35 . . . . 1.0 109.552 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.67 121.96 64.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 1.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -75.51 125.5 9.03 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.316 3.344 . . . . 1.0 109.59 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.407 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 4.3 p-10 -86.46 9.05 19.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 1.0 109.314 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 pttp -116.16 88.49 22.64 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 1.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.556 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 13.1 Cg_exo -41.68 147.8 0.37 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.335 3.357 . . . . 1.0 109.558 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.42 148.82 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 109.284 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.83 144.76 27.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 1.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.2 t -122.06 86.07 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 1.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -87.24 89.41 7.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 1.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.81 -134.91 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 1.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.43 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -61.27 -68.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.794 . . . . 1.0 110.023 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -149.51 48.43 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 1.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.558 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 1.3 tptm -156.2 95.97 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 1.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.3 m -73.49 134.1 43.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 1.0 110.442 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.6 t -150.18 127.49 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 1.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -101.01 139.95 35.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 1.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -117.45 123.01 30.28 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 1.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.761 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 32.7 Cg_endo -88.17 139.57 4.44 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.318 3.345 . . . . 1.0 109.563 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -87.82 -33.77 18.49 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 124.106 0.879 . . . . 1.0 109.756 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.916 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.86 -54.88 20.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 1.0 109.267 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.916 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 36.5 Cg_exo -63.79 -6.09 10.17 Favored 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 124.303 3.335 . . . . 1.0 109.574 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -133.55 40.4 3.14 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 124.156 0.91 . . . . 1.0 109.817 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.7 9.01 41.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 1.0 110.346 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.62 -3.05 8.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 1.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.0 t -101.98 122.6 54.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 1.0 109.286 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.31 129.6 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 1.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.9 m -47.15 -60.58 2.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 1.0 108.244 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 32' ' ' THR . 7.3 p -40.34 -52.04 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 1.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.46 ' N ' HG13 ' A' ' 31' ' ' VAL . 3.3 m -37.1 -32.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 1.0 110.424 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -110.81 -52.47 2.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 1.0 108.29 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -85.15 73.47 10.62 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.786 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -49.56 160.61 0.26 Allowed 'General case' 0 CA--C 1.54 0.567 0 O-C-N 124.1 0.875 . . . . 1.0 109.723 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.02 148.75 26.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 1.0 109.232 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.7 t -116.36 112.81 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 1.0 109.332 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 52.5 40.67 30.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 1.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.61 38.54 82.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 1.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.05 103.04 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 1.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -44.27 122.87 3.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 1.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.4 t -142.4 159.22 42.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 1.0 110.004 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -142.63 56.55 1.43 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.841 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.644 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -95.47 147.28 23.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 1.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.71 155.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 1.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.501 ' HB3' HD13 ' A' ' 64' ' ' LEU . 1.1 m -50.48 -33.6 21.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 1.0 108.306 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.72 65.05 0.28 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.106 . . . . 1.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.644 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 26.7 t -99.23 168.46 10.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 1.0 110.039 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.6 m -46.36 116.72 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.0 109.964 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.65 58.05 10.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 1.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.1 m -149.58 -144.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.302 -0.999 . . . . 1.0 108.302 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -89.06 82.45 6.64 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.021 -0.99 . . . . 1.0 109.778 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -135.57 50.35 2.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 1.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -151.67 93.23 1.84 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 1.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.43 HD13 ' N ' ' A' ' 14' ' ' SER . 3.1 mt -94.47 18.12 11.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 1.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.76 -7.68 23.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 1.0 110.446 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.546 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -86.33 -53.03 5.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 1.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.546 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 2.8 tppt? 90.63 -34.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 1.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.14 129.44 16.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 1.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 142.03 -178.88 20.41 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.459 1.099 . . . . 1.0 111.033 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -85.51 15.29 4.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 1.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 6.2 mmtt -129.84 36.13 4.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 1.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -134.89 141.25 46.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 110.047 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.501 HD13 ' HB3' ' A' ' 46' ' ' CYS . 44.0 tp -99.38 36.26 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 1.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -129.07 -33.5 1.97 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.981 -1.009 . . . . 1.0 109.882 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -87.29 -2.05 58.35 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 118.887 -0.578 . . . . 1.0 109.86 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.7 m -119.91 5.07 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 1.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 t -106.74 -41.63 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 1.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.683 ' O ' ' C ' ' A' ' 70' ' ' ALA . 37.3 m80 -100.27 -82.77 0.45 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.007 -0.997 . . . . 1.0 109.731 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.939 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 13.23 89.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 1.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.75 23.85 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 1.0 110.321 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -105.17 -170.7 24.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.11 . . . . 1.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -75.41 101.57 4.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 0.745 . . . . 1.0 110.286 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.939 HD11 ' CB ' ' A' ' 70' ' ' ALA . 82.0 mt -107.35 167.88 9.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 1.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -28.84 37.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 1.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -126.49 -143.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 1.0 109.623 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.8 m -125.84 104.89 8.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 1.0 110.42 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.869 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -69.68 167.0 17.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 1.0 110.012 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.403 ' C ' ' N ' ' A' ' 81' ' ' ALA . 11.3 m -61.94 -66.2 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 1.0 108.262 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -48.0 -23.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -63.86 -70.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 1.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 85' ' ' LYS . 51.4 t -50.8 -61.47 2.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 1.0 108.287 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.401 ' ND1' ' HB3' ' A' ' 97' ' ' LEU . 12.5 m170 -38.93 -29.13 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.972 -1.013 . . . . 1.0 109.768 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 3.2 t -59.09 -50.23 74.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 1.0 110.041 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 82' ' ' CYS . 1.3 mttt -67.99 -35.65 78.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 1.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.576 HG11 HD12 ' A' ' 97' ' ' LEU . 77.1 t -58.21 -48.44 84.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 1.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.746 HG21 HG21 ' A' ' 98' ' ' THR . 18.9 t -54.45 -31.23 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 1.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.316 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.268 -0.641 . . . . 1.0 109.268 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.576 HD12 HG11 ' A' ' 86' ' ' VAL . 18.3 mt -109.92 2.97 20.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 1.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.746 HG21 HG21 ' A' ' 87' ' ' VAL . 7.0 p -147.83 39.1 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 1.0 110.364 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -105.54 130.03 10.04 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.482 1.114 . . . . 1.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.6 m -70.4 -30.96 67.98 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.342 -0.985 . . . . 1.0 108.342 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.26 171.26 14.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 1.0 109.254 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.0 mttt 40.65 46.93 2.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 1.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.73 -169.07 1.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 1.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.01 12.27 11.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 1.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.435 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.5 OUTLIER -128.26 -55.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 1.0 108.259 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.558 ' CE1' ' HG2' ' A' ' 16' ' ' LYS . 89.7 m-70 -110.25 76.47 1.06 Allowed Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.785 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.435 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 58.7 Cg_endo . . . . . 0 N--CA 1.447 -1.237 0 C-N-CA 124.334 3.356 . . . . 1.0 109.574 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.277 -0.638 . . . . 1.0 109.277 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 4' ' ' VAL . 9.9 p -58.04 117.95 23.27 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -41.98 130.78 4.38 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.355 3.37 . . . . 1.0 109.589 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -72.63 -12.43 61.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 1.0 109.27 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.22 155.84 70.67 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 1.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -75.58 172.17 16.83 Favored 'Trans proline' 0 N--CA 1.446 -1.287 0 C-N-CA 124.295 3.33 . . . . 1.0 109.64 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 m -131.33 144.22 38.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 1.0 109.351 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.71 142.81 27.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 1.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.6 t -116.91 68.75 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.75 92.5 4.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 1.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.99 -130.39 0.66 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 1.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -59.23 -74.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 1.0 109.983 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.427 ' N ' ' OG ' ' A' ' 14' ' ' SER . 2.8 tt0 -145.57 45.96 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 1.0 110.282 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.453 ' HE2' ' CE1' ' A' ' 106' ' ' HIS . 1.4 mttt -149.62 97.16 2.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 1.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m -74.78 131.87 41.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 1.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.6 t -148.42 126.73 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 1.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 32.6 mtt -103.27 133.79 47.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 1.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.422 ' CE1' ' CE1' ' A' ' 25' ' ' HIS . 28.3 t80 -114.78 121.29 35.85 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.711 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 41.8 Cg_endo -86.61 138.24 5.23 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.322 3.348 . . . . 1.0 109.556 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -88.4 -33.1 18.02 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 124.149 0.906 . . . . 1.0 109.736 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.917 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.53 -54.77 20.02 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 1.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.917 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 27.7 Cg_exo -64.37 -5.51 9.98 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.294 3.329 . . . . 1.0 109.596 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.422 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 70.2 m80 -131.99 37.94 3.56 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 124.105 0.878 . . . . 1.0 109.759 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 11.2 tt0 -99.19 6.01 46.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 1.0 110.284 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.82 -4.24 11.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 1.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.9 t -104.28 123.74 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 1.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.37 142.87 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 1.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' CYS . 7.0 m -60.49 -66.01 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 1.0 108.279 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 33' ' ' CYS . 2.7 t -37.67 -57.78 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' VAL . 23.5 m -34.94 -34.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 1.0 110.39 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.481 ' N ' ' O ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -105.24 -45.97 4.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 108.331 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -92.63 69.83 4.85 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.954 -1.021 . . . . 1.0 109.804 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -42.05 159.48 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.572 0 O-C-N 124.111 0.882 . . . . 1.0 109.77 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.79 152.45 23.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 1.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 70.7 t -123.42 112.54 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 1.0 109.307 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 51.8 39.71 26.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.69 28.81 66.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.145 . . . . 1.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -129.67 93.8 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 1.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.78 123.26 3.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 1.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.8 t -135.41 157.47 46.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 1.0 110.04 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -139.58 55.05 1.67 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.822 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 45' ' ' LYS . . . -95.67 149.4 21.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' ALA . 16.6 mttt -40.49 147.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 1.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -27.9 6.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 1.0 108.262 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.99 66.6 0.32 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 1.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.0 t -99.82 166.62 11.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 0.732 . . . . 1.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.17 117.99 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 1.0 110.02 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.75 50.11 20.78 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.492 1.12 . . . . 1.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.4 m -147.59 -140.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.299 -1.0 . . . . 1.0 108.299 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 61' ' ' GLU . 19.1 m-70 -96.48 78.15 2.99 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.975 -1.011 . . . . 1.0 109.741 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -134.6 47.64 2.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 1.0 109.307 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.47 99.77 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 1.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 mp -97.5 19.25 13.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 1.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.6 -5.51 42.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.524 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -90.59 -47.52 7.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 1.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 91.17 -27.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 1.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -155.23 135.89 13.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 1.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.64 161.88 9.87 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 1.0 111.051 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.449 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 0.7 OUTLIER -61.59 -13.58 23.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 1.0 110.298 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -99.16 31.49 3.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 1.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 t -135.5 145.79 47.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 1.0 110.013 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.3 tp -109.3 42.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 1.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -133.5 -34.96 1.02 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.027 -0.988 . . . . 1.0 109.828 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -88.38 -1.28 57.95 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 118.872 -0.585 . . . . 1.0 109.819 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.7 m -119.01 2.05 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 1.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.1 t -100.29 -48.13 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.681 ' O ' ' C ' ' A' ' 70' ' ' ALA . 23.9 m80 -95.7 -78.77 0.45 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.939 -1.028 . . . . 1.0 109.777 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.979 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 12.3 88.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 1.0 109.275 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.86 22.43 3.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 1.0 110.337 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.05 -164.0 24.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 1.0 110.979 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -79.74 105.91 11.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 1.0 110.269 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.979 HD11 ' CB ' ' A' ' 70' ' ' ALA . 82.7 mt -113.45 164.06 14.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 1.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -50.19 -34.87 24.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -120.74 -143.76 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 1.0 109.548 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.4 m -125.06 104.9 8.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 1.0 110.415 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.862 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.99 165.55 17.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 1.0 110.033 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.41 ' C ' ' N ' ' A' ' 81' ' ' ALA . 9.6 m -61.2 -66.88 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 1.0 108.312 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.67 -22.63 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 1.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.807 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -65.04 -70.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 1.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 85' ' ' LYS . 50.7 t -50.06 -60.79 2.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 1.0 108.299 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.536 ' O ' HG23 ' A' ' 87' ' ' VAL . 13.0 m170 -39.13 -33.51 0.13 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.031 -0.986 . . . . 1.0 109.775 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 0.6 OUTLIER -56.47 -46.94 80.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 1.0 109.975 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 82' ' ' CYS . 0.1 OUTLIER -69.59 -40.18 76.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 1.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.621 HG11 ' CD1' ' A' ' 97' ' ' LEU . 84.2 t -55.03 -42.14 62.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 1.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 83' ' ' HIS . 49.3 t -54.73 -27.74 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 1.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 1.0 109.294 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.796 ' C ' HD23 ' A' ' 97' ' ' LEU . 22.9 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.286 -0.635 . . . . 1.0 109.286 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.796 HD23 ' C ' ' A' ' 96' ' ' ASP . 3.3 mt -111.49 -31.99 6.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 1.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.2 p -113.82 -146.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 1.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 68.43 132.38 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.501 1.125 . . . . 1.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 65.9 m -77.37 -28.79 52.99 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.304 -0.999 . . . . 1.0 108.304 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.59 167.6 19.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 1.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 55.45 48.46 18.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 1.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.3 m -136.6 178.59 6.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 1.0 109.962 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.56 -3.54 59.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 1.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.3 m -101.95 -40.9 6.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 1.0 108.301 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.453 ' CE1' ' HE2' ' A' ' 16' ' ' LYS . 80.6 m-70 -131.68 74.53 77.71 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.021 -0.991 . . . . 1.0 109.781 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo . . . . . 0 N--CA 1.447 -1.211 0 C-N-CA 124.339 3.359 . . . . 1.0 109.592 179.869 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.688 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 122.052 0.93 . . . . 1.0 109.292 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.688 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 27.0 Cg_endo -57.17 158.36 18.33 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.299 3.333 . . . . 1.0 109.615 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.69 120.55 17.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 1.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.6 p -58.06 123.71 66.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 1.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -71.59 124.92 10.7 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.255 3.303 . . . . 1.0 109.615 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -77.15 -1.26 28.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 1.0 109.31 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.89 148.05 36.64 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -79.02 142.84 17.56 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.371 3.38 . . . . 1.0 109.563 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -108.11 133.47 52.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 1.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -71.78 139.08 48.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 1.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.617 HG13 ' O2D' ' A' ' 233' ' ' HEM . 25.2 t -119.15 69.67 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 1.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -53.09 89.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 1.0 109.361 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 11' ' ' VAL . . . -66.06 -124.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.458 1.099 . . . . 1.0 110.95 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.08 -63.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 0.777 . . . . 1.0 109.994 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -127.91 -58.98 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 1.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.55 146.47 54.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 1.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.3 m -102.5 134.29 46.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 1.0 110.394 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.1 128.98 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 1.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.7 ptt? -110.09 131.54 54.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 1.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.748 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 19.5 t80 -107.95 125.44 32.1 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 1.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.756 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 31.9 Cg_endo -88.85 139.38 3.81 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.276 3.317 . . . . 1.0 109.593 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -87.65 -33.45 18.8 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.118 0.886 . . . . 1.0 109.752 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.916 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.89 -54.92 20.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.916 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 26.5 Cg_exo -65.15 -5.19 10.52 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.35 3.367 . . . . 1.0 109.594 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.499 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 69.3 m80 -134.21 40.97 3.0 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.145 0.903 . . . . 1.0 109.749 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.78 9.75 38.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 1.0 110.293 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.08 -4.13 9.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 1.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.1 t -103.2 124.48 57.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 1.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.416 ' OE1' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -46.18 136.01 7.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 1.0 110.314 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' CYS . 5.2 m -51.21 -59.74 3.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 1.0 108.337 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.416 HG12 ' OE1' ' A' ' 29' ' ' GLU . 3.6 p -38.66 -49.6 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' VAL . 3.3 m -37.77 -42.68 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 1.0 110.366 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.597 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 1.3 m -101.78 -54.56 2.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 1.0 108.275 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.2 m-70 -82.52 69.93 9.38 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.758 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -47.5 160.8 0.1 Allowed 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.166 0.916 . . . . 1.0 109.78 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.65 155.56 24.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 1.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.9 t -124.33 112.47 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 1.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 t0 54.15 40.18 31.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 1.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.16 32.54 63.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 1.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -130.98 102.82 6.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.773 . . . . 1.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -43.86 128.74 5.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 1.0 110.311 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.473 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 41.3 t -148.48 156.61 42.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 1.0 110.007 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 42' ' ' SER . 25.9 m-85 -143.43 54.47 1.34 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.038 -0.983 . . . . 1.0 109.843 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.567 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -92.11 147.14 23.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 1.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' O ' HMC3 ' A' ' 251' ' ' HEM . 0.2 OUTLIER -40.26 147.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 1.0 109.333 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.463 ' HB2' ' CGD' ' A' ' 233' ' ' HEM . 0.1 OUTLIER -46.74 -33.62 4.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 1.0 108.293 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.07 63.09 0.29 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 1.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.567 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 27.0 t -97.94 167.65 10.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 1.0 109.975 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.402 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 46.0 t -42.26 126.67 3.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 1.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 55.45 52.53 47.2 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 1.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.469 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 15.9 m -141.91 -144.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.281 -1.007 . . . . 1.0 108.281 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -97.23 81.81 3.08 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.966 -1.015 . . . . 1.0 109.746 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -134.54 51.27 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 1.0 109.263 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.81 100.55 1.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 1.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.34 21.39 12.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 1.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.422 ' O ' ' CG2' ' A' ' 56' ' ' THR . 0.9 OUTLIER -101.44 -1.92 32.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 110.364 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -91.91 -49.1 6.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 1.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 90.05 -38.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 1.0 109.321 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.45 121.74 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 1.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 147.72 156.72 7.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.529 1.143 . . . . 1.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.36 -17.5 12.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 1.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.64 33.02 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 1.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -130.84 140.2 50.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 1.0 110.001 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.498 ' O ' ' CGD' ' A' ' 305' ' ' HEM . 45.4 tp -103.63 39.76 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 1.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -131.39 -34.15 1.42 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.959 -1.018 . . . . 1.0 109.816 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -86.91 -3.88 59.12 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 118.937 -0.554 . . . . 1.0 109.841 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.1 m -117.5 2.86 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 1.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.886 HG21 ' O1D' ' A' ' 305' ' ' HEM . 2.5 t -102.09 -46.69 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 1.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.687 ' O ' ' C ' ' A' ' 70' ' ' ALA . 38.0 m80 -95.55 -80.08 0.43 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.719 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 1.022 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 11.74 91.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.421 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -92.15 20.52 5.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 1.0 110.351 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.0 -163.65 29.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.444 1.09 . . . . 1.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -84.13 98.33 9.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.753 . . . . 1.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.022 HD11 ' CB ' ' A' ' 70' ' ' ALA . 52.3 mt -105.36 172.85 6.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 1.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.49 -51.01 58.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -106.76 -139.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 1.0 109.601 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.0 m -127.0 104.27 7.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 1.0 110.371 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.855 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -65.72 166.44 10.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 1.0 110.018 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 81' ' ' ALA . 11.5 m -61.59 -66.47 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.0 108.312 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.3 mm? -48.67 -21.72 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 1.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.796 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -65.82 -70.38 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 1.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.514 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 53.9 t -49.72 -61.3 2.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 1.0 108.282 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.414 ' ND1' ' HB3' ' A' ' 97' ' ' LEU . 13.1 m170 -39.1 -30.46 0.05 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.759 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 3.3 t -60.53 -49.01 79.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 1.0 109.994 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.629 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -67.55 -35.82 79.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 1.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 69.9 t -57.72 -48.2 84.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 1.0 109.333 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.3 t -54.93 -19.71 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 1.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -81.36 5.3 17.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 1.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.408 ' C ' ' HD3' ' A' ' 91' ' ' PRO . 0.7 OUTLIER -115.73 -40.62 3.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 1.0 110.267 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 93' ' ' LEU . 1.8 tttp -127.67 69.19 75.63 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 1.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.408 ' HD3' ' C ' ' A' ' 89' ' ' GLU . 77.9 Cg_exo -44.97 -23.54 0.98 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.318 3.346 . . . . 1.0 109.659 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -86.72 21.48 2.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 1.0 110.311 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 90' ' ' LYS . 66.4 mt -135.13 16.17 3.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 1.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.436 ' O ' ' CB ' ' A' ' 95' ' ' LYS . 8.2 tttp -67.24 73.87 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 1.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 99' ' ' GLY . 3.4 mtmt 168.57 -64.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 1.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.461 ' C ' HD23 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -39.9 -29.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 109.313 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.461 HD23 ' C ' ' A' ' 96' ' ' ASP . 13.0 mt -110.92 -25.6 9.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.183 . . . . 1.0 109.248 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 95' ' ' LYS . 3.1 p -128.55 57.41 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 1.0 110.396 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -123.03 128.71 7.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.552 1.158 . . . . 1.0 111.005 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 106' ' ' HIS . 80.2 m -70.29 -29.86 66.71 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.316 -0.994 . . . . 1.0 108.316 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.72 172.7 12.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 1.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.02 49.0 9.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 1.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.58 -171.69 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.0 110.039 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -87.26 1.57 52.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 1.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.406 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -114.06 -50.6 2.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 1.0 108.284 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.402 ' CB ' ' O ' ' A' ' 100' ' ' CYS . 89.7 m-70 -118.71 83.33 22.02 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-N 114.981 -1.009 . . . . 1.0 109.752 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 29.0 Cg_exo . . . . . 0 N--CA 1.447 -1.226 0 C-N-CA 124.292 3.328 . . . . 1.0 109.619 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.748 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.469 ' C2C' ' HB3' ' A' ' 51' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.558 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.886 ' O1D' HG21 ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.495 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 122.094 0.95 . . . . 1.0 109.307 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.702 ' HG2' HMB1 ' A' ' 233' ' ' HEM . 7.9 Cg_endo -47.97 155.66 1.68 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.326 3.351 . . . . 1.0 109.571 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.9 121.02 17.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 1.0 109.318 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.13 123.05 84.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 1.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -72.07 129.81 15.69 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.313 3.342 . . . . 1.0 109.623 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -84.44 7.57 19.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 1.0 109.284 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.34 148.77 41.55 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 1.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -78.4 135.43 13.32 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.32 3.347 . . . . 1.0 109.65 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.3 m -107.72 131.52 57.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 1.0 109.257 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -71.46 143.2 50.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 1.0 110.335 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.969 HG13 ' O2D' ' A' ' 233' ' ' HEM . 26.4 t -121.18 68.31 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 1.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -40.41 129.4 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 1.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -118.89 -154.66 9.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 1.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.543 ' HA ' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -55.71 -71.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.78 . . . . 1.0 109.984 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.408 ' N ' ' OG ' ' A' ' 14' ' ' SER . 5.9 tt0 -141.93 43.4 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 1.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.88 127.08 2.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 1.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.7 m -89.91 130.8 36.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 1.0 110.407 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.6 t -133.34 126.43 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 1.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -105.64 133.67 50.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 1.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.751 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 19.1 t80 -111.03 124.88 31.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 1.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.736 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 33.5 Cg_endo -87.61 138.48 4.51 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.301 3.334 . . . . 1.0 109.6 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -87.5 -33.43 18.99 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 124.129 0.893 . . . . 1.0 109.726 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.913 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.81 -54.95 19.55 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 1.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.913 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 26.5 Cg_exo -65.12 -5.46 11.04 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.27 3.313 . . . . 1.0 109.647 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.486 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 70.7 m80 -134.0 39.29 3.14 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 124.183 0.927 . . . . 1.0 109.783 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.75 6.36 45.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.0 110.297 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.41 -20.56 10.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 1.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.454 HG12 ' HB ' ' A' ' 32' ' ' THR . 21.6 t -86.32 128.06 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.03 137.05 17.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 1.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.7 m -49.45 -61.43 2.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 1.0 108.336 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' CYS . 3.5 p -40.71 -50.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 1.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.454 ' HB ' HG12 ' A' ' 28' ' ' VAL . 2.5 m -38.05 -30.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 1.0 110.427 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.602 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.8 OUTLIER -112.88 -53.53 2.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 1.0 108.321 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -83.53 74.13 10.14 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.958 -1.019 . . . . 1.0 109.767 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 76' ' ' HIS . 2.8 p80 -50.63 161.28 0.35 Allowed 'General case' 0 CA--C 1.54 0.585 0 O-C-N 124.139 0.899 . . . . 1.0 109.753 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.637 ' N ' HD23 ' A' ' 36' ' ' LEU . 2.0 mt -84.78 156.33 21.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 1.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.6 t -123.77 112.93 34.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.584 1.178 . . . . 1.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t0 55.51 41.33 30.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 1.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.0 37.89 59.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.109 . . . . 1.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.76 124.64 24.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 1.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.35 127.68 7.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.605 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 45.6 t -139.89 150.96 45.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 42' ' ' SER . 60.0 m-85 -157.12 48.17 0.43 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.017 -0.992 . . . . 1.0 109.809 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.476 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -98.14 148.08 23.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 1.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -41.88 152.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 1.0 109.295 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.446 ' HA ' ' HAB' ' A' ' 251' ' ' HEM . 0.0 OUTLIER -50.13 -38.26 38.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 1.0 108.332 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.64 61.29 0.36 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.488 1.118 . . . . 1.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.476 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 28.0 t -95.91 168.38 10.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 0.801 . . . . 1.0 110.01 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.1 m -52.08 132.47 32.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 1.0 110.024 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.68 43.28 94.49 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.111 . . . . 1.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 13.3 m -139.99 -145.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.3 -1.0 . . . . 1.0 108.3 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -90.92 72.27 6.5 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.749 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -122.04 46.13 2.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 1.0 109.266 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.17 94.65 2.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 1.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.543 HD13 ' HA ' ' A' ' 14' ' ' SER . 0.6 OUTLIER -94.35 18.39 11.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.08 -11.83 57.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 1.0 110.413 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.04 174.15 5.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 1.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.467 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -113.91 -11.7 12.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 1.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -172.6 135.94 0.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 1.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 154.27 158.31 8.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.133 . . . . 1.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.71 -14.7 15.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 1.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -112.15 43.11 1.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 1.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 t -135.29 141.62 45.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 1.0 110.017 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.451 ' O ' ' CGD' ' A' ' 305' ' ' HEM . 39.0 tp -102.33 38.21 1.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 1.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.467 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 5.7 t80 -131.02 -36.49 1.33 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.036 -0.984 . . . . 1.0 109.818 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.441 ' CD2' ' O2A' ' A' ' 251' ' ' HEM . 90.1 t80 -87.76 -1.94 58.29 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 118.934 -0.555 . . . . 1.0 109.864 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.3 m -118.59 3.39 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 1.0 109.34 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.796 HG21 ' O2D' ' A' ' 305' ' ' HEM . 2.3 t -102.3 -46.47 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 1.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.672 ' O ' ' C ' ' A' ' 70' ' ' ALA . 23.3 m80 -97.69 -80.43 0.45 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.745 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 1.091 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 15.01 90.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.89 20.7 7.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 1.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.7 -153.74 28.52 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.556 1.16 . . . . 1.0 111.007 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.68 99.34 12.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 1.0 110.263 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.091 HD11 ' CB ' ' A' ' 70' ' ' ALA . 44.1 mt -107.57 176.48 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -46.35 77.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 1.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -114.83 -152.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 109.608 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.5 m -112.25 102.87 11.0 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 1.0 110.366 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.814 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -64.97 167.53 7.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 1.0 109.963 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 18.8 m -60.76 -67.44 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 1.0 108.281 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -49.02 -22.32 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 1.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.804 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.26 -70.34 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 1.0 109.309 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.531 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 49.6 t -50.13 -59.58 3.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 1.0 108.302 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.464 ' O ' HG23 ' A' ' 87' ' ' VAL . 12.2 m170 -40.44 -28.22 0.06 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.99 -1.004 . . . . 1.0 109.762 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 4.4 t -60.18 -46.32 90.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 1.0 109.988 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 82' ' ' CYS . 0.1 OUTLIER -71.36 -38.59 71.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 1.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.722 HG11 ' CD1' ' A' ' 97' ' ' LEU . 71.5 t -54.54 -37.36 38.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 1.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 83' ' ' HIS . 24.0 t -54.9 -29.23 21.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 1.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.66 11.47 8.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 1.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.428 ' C ' ' HD3' ' A' ' 91' ' ' PRO . 4.7 tt0 -114.7 -36.93 4.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 1.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.446 ' HB3' HD12 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -130.11 64.56 72.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 1.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.428 ' HD3' ' C ' ' A' ' 89' ' ' GLU . 65.6 Cg_exo -45.67 -23.05 1.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.332 3.354 . . . . 1.0 109.63 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -85.03 28.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 1.0 110.27 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.516 ' O ' ' C ' ' A' ' 94' ' ' LYS . 20.9 mt -131.87 -73.99 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 1.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 93' ' ' LEU . 2.6 tttp 31.66 61.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 1.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.519 ' O ' ' N ' ' A' ' 99' ' ' GLY . 4.3 mttp 171.05 -65.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 1.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.57 ' C ' HD23 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -41.11 -28.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 1.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.722 ' CD1' HG11 ' A' ' 86' ' ' VAL . 6.2 mt -107.96 -28.8 9.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 95' ' ' LYS . 7.3 p -126.03 57.18 1.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 1.0 110.374 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -115.75 126.93 7.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 1.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 82.3 m -72.55 -31.39 65.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.275 -1.009 . . . . 1.0 108.275 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.92 172.16 13.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 1.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 106' ' ' HIS . 0.1 OUTLIER 41.87 46.52 3.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 1.0 109.332 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.7 t -128.12 -167.56 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.83 0.6 55.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 1.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.408 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 0.9 OUTLIER -116.14 -50.07 2.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 1.0 108.312 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 102' ' ' LYS . 89.6 m-70 -118.07 83.22 19.01 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-N 114.943 -1.026 . . . . 1.0 109.76 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 39.1 Cg_exo . . . . . 0 N--CA 1.446 -1.28 0 C-N-CA 124.355 3.37 . . . . 1.0 109.61 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.969 ' O2D' HG13 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.581 HMD1 ' CGD' ' A' ' 251' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.536 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.82 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.784 ' HB1' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 122.091 0.948 . . . . 1.0 109.289 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.784 ' CD ' ' HB1' ' A' ' 1' ' ' ALA . 32.8 Cg_exo -62.53 141.46 86.44 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.306 3.338 . . . . 1.0 109.585 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.0 122.73 13.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 1.0 109.279 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.94 122.12 81.06 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 1.0 109.274 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -76.44 124.02 7.45 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.305 3.337 . . . . 1.0 109.576 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.403 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.3 p30 -86.21 10.16 15.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.321 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.86 91.33 25.76 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 1.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.663 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 12.1 Cg_exo -40.64 140.05 1.12 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.29 3.327 . . . . 1.0 109.631 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.08 148.56 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 1.0 109.257 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -78.78 144.89 34.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 1.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.867 HG22 ' CGD' ' A' ' 233' ' ' HEM . 23.4 t -116.72 66.49 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 1.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp -39.79 133.73 1.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 1.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -125.3 -152.65 8.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 1.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.522 ' N ' ' CD2' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -61.0 -69.28 0.24 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 0.774 . . . . 1.0 110.029 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.449 ' N ' ' OG ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -147.31 47.45 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 1.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -167.63 99.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 1.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.6 m -70.9 133.62 46.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 1.0 110.411 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.6 t -137.86 127.09 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 1.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.0 ptp -102.51 140.03 37.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 1.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.744 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 23.4 t80 -115.46 124.45 30.04 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 1.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.746 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 30.8 Cg_endo -88.48 138.19 3.77 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.317 3.345 . . . . 1.0 109.571 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -87.17 -33.17 19.47 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.152 0.907 . . . . 1.0 109.727 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.915 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -48.22 -54.98 20.6 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 1.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.915 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 29.1 Cg_exo -64.6 -5.97 11.26 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.329 3.353 . . . . 1.0 109.584 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.462 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 70.0 m80 -134.17 39.7 3.08 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.151 0.907 . . . . 1.0 109.759 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.14 5.27 46.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 1.0 110.306 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -114.51 -20.22 10.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 1.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.4 t -86.1 123.4 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.07 138.72 4.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.091 . . . . 1.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 31' ' ' VAL . 5.3 m -53.02 -62.64 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 1.0 108.328 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.465 HG13 ' H ' ' A' ' 32' ' ' THR . 2.6 p -37.06 -55.26 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 1.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.465 ' H ' HG13 ' A' ' 31' ' ' VAL . 8.0 m -34.52 -39.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 1.0 110.426 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.599 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.8 OUTLIER -102.64 -53.25 2.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 1.0 108.27 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.1 m-70 -84.33 71.11 10.69 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.03 -0.987 . . . . 1.0 109.763 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.682 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 3.2 p80 -46.82 160.53 0.08 Allowed 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.169 0.918 . . . . 1.0 109.794 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.08 152.28 24.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 1.0 109.301 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.5 t -120.86 112.04 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 1.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.12 39.09 25.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 1.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 60.23 30.45 70.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.142 . . . . 1.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -128.71 100.22 5.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.75 . . . . 1.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -44.21 126.1 4.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 1.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.3 t -140.05 157.35 45.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 1.0 109.967 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -142.25 56.31 1.46 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.992 -1.004 . . . . 1.0 109.827 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.649 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -98.82 142.22 30.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 1.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.77 152.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 1.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.42 ' HA ' ' HAB' ' A' ' 251' ' ' HEM . 0.5 OUTLIER -49.36 -30.65 8.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 1.0 108.315 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -110.56 63.87 0.27 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.117 . . . . 1.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.649 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 25.2 t -102.54 168.65 9.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 1.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 84.8 p -52.18 131.67 32.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 1.0 109.974 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 55.18 52.13 49.34 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 1.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.424 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 19.0 m -146.97 -143.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -91.87 79.42 5.3 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.961 -1.018 . . . . 1.0 109.774 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -132.3 51.47 2.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 1.0 109.29 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.57 94.61 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' A' ' 14' ' ' SER . 4.6 tp -91.82 15.72 12.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.8 m -71.83 -19.08 62.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 1.0 110.419 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.8 162.94 13.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.556 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 14.8 mttt -103.09 -3.92 25.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 1.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -172.95 131.33 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 1.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.42 158.15 8.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.125 . . . . 1.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.81 -30.03 60.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 0.777 . . . . 1.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.56 32.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 1.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -131.0 136.08 48.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 1.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.474 ' HG ' ' CGD' ' A' ' 305' ' ' HEM . 45.1 tp -97.78 36.74 1.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 1.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.556 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 3.5 t80 -129.19 -33.62 1.93 Allowed 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.832 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -87.25 -3.13 59.03 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 118.895 -0.574 . . . . 1.0 109.846 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.5 m -118.69 4.86 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 1.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 t -105.28 -44.39 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 1.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.674 ' O ' ' C ' ' A' ' 70' ' ' ALA . 36.5 m80 -98.23 -81.71 0.43 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.021 -0.99 . . . . 1.0 109.765 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 1.077 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 14.77 89.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 1.0 109.306 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.423 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -91.55 20.66 5.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 1.0 110.317 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.57 -160.31 27.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 1.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -86.41 101.12 12.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 1.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.077 HD11 ' CB ' ' A' ' 70' ' ' ALA . 50.6 mt -108.72 175.91 5.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 1.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.436 ' CD ' ' O1D' ' A' ' 251' ' ' HEM . 25.7 tttp -55.03 -50.84 68.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 1.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.682 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 4.5 m-70 -106.98 -140.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 109.576 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.3 m -125.67 104.52 8.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 1.0 110.357 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.841 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -66.69 166.68 12.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 1.0 109.992 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.406 ' C ' ' N ' ' A' ' 81' ' ' ALA . 10.3 m -61.71 -66.27 0.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 1.0 108.337 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -48.82 -22.44 0.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 1.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.788 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.8 -70.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 1.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.457 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 52.8 t -50.27 -62.17 1.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 1.0 108.313 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -38.23 -29.21 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.742 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 4.6 p -59.81 -50.17 74.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 1.0 109.975 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.524 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 6.8 tptt -66.91 -34.64 78.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 1.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.675 HG11 HD12 ' A' ' 97' ' ' LEU . 88.1 t -60.36 -50.0 82.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 1.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.704 HG21 ' CG2' ' A' ' 98' ' ' THR . 14.3 t -54.83 -19.58 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 1.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -85.87 11.38 11.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 1.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 86' ' ' VAL . 0.3 OUTLIER -125.76 -45.07 1.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 1.0 110.305 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 93' ' ' LEU . 1.9 tptt -122.26 75.16 41.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 1.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.408 ' HD3' ' C ' ' A' ' 89' ' ' GLU . 78.3 Cg_exo -45.33 -22.82 1.02 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.313 3.342 . . . . 1.0 109.613 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.406 ' O ' HD12 ' A' ' 93' ' ' LEU . 2.8 pt-20 -84.85 19.91 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 1.0 110.284 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 90' ' ' LYS . 3.1 mp -130.42 14.22 5.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 1.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -56.34 23.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 1.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -90.19 35.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 1.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.469 ' C ' HD23 ' A' ' 97' ' ' LEU . 4.5 t0 -130.53 -46.52 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 1.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.675 HD12 HG11 ' A' ' 86' ' ' VAL . 6.0 mt -101.74 -16.34 16.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 1.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.704 ' CG2' HG21 ' A' ' 87' ' ' VAL . 1.4 p -138.7 41.58 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 1.0 110.405 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.62 127.57 9.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.556 1.16 . . . . 1.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 72.6 m -69.03 -28.16 66.32 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.312 -0.996 . . . . 1.0 108.312 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -149.05 172.98 13.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 1.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 42.86 43.02 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 1.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.7 p -123.71 -153.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 1.0 110.062 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -108.31 16.39 23.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 1.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.5 OUTLIER -128.59 -52.84 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 1.0 108.336 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -114.28 63.36 1.26 Allowed Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 115.032 -0.985 . . . . 1.0 109.747 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.413 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 28.4 Cg_endo . . . . . 0 N--CA 1.447 -1.241 0 C-N-CA 124.32 3.347 . . . . 1.0 109.605 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.867 ' CGD' HG22 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.436 ' O1D' ' CD ' ' A' ' 75' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.591 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.817 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.704 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 122.057 0.932 . . . . 1.0 109.301 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.704 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 33.5 Cg_endo -58.06 123.23 13.2 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.301 3.334 . . . . 1.0 109.584 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -40.33 125.7 2.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 1.0 109.302 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 4' ' ' VAL . 7.1 p -44.31 110.51 1.02 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 1.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -50.54 130.93 31.31 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.295 3.33 . . . . 1.0 109.606 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -90.74 9.26 30.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 1.0 109.292 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.46 92.48 43.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 1.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.578 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 11.4 Cg_exo -40.42 154.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.3 3.334 . . . . 1.0 109.613 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.461 ' CG2' HBD2 ' A' ' 233' ' ' HEM . 0.0 OUTLIER -117.86 148.76 20.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 1.0 109.317 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -81.79 147.57 29.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 1.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.572 HG22 ' O2D' ' A' ' 233' ' ' HEM . 26.0 t -121.33 72.52 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 1.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -57.84 88.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 1.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 11' ' ' VAL . . . -62.0 -149.6 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 1.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -57.82 10.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 1.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.61 46.51 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.45 129.4 2.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 1.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 95.5 m -92.96 118.67 31.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 1.0 110.435 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 11' ' ' VAL . 36.0 t -128.55 126.0 64.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 1.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.54 135.13 45.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 1.0 110.995 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.736 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 25.8 t80 -112.27 123.32 34.5 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.705 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 39.7 Cg_endo -87.25 137.11 4.24 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.289 3.326 . . . . 1.0 109.583 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -87.39 -32.87 19.34 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.146 0.904 . . . . 1.0 109.788 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.926 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.73 -55.03 18.8 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 1.0 109.338 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.926 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 25.8 Cg_exo -64.99 -5.59 11.1 Favored 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.318 3.345 . . . . 1.0 109.569 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.483 ' CD2' ' CBC' ' A' ' 233' ' ' HEM . 68.4 m80 -132.39 38.56 3.45 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 124.147 0.905 . . . . 1.0 109.775 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.86 8.7 41.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 1.0 110.258 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -121.43 -2.98 9.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 1.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.0 t -103.6 122.65 56.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 1.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' A' ' 32' ' ' THR . 2.6 mt-10 -43.19 129.02 4.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 1.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 34' ' ' HIS . 7.8 m -46.81 -57.42 4.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 108.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 32' ' ' THR . 3.7 p -42.14 -48.46 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.432 ' CB ' ' O ' ' A' ' 29' ' ' GLU . 1.6 m -37.86 -40.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 1.0 110.407 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.594 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 1.3 m -103.21 -54.79 2.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 1.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 30' ' ' CYS . 99.0 m-70 -82.53 72.47 9.6 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.992 -1.003 . . . . 1.0 109.777 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.455 ' HB2' ' CD2' ' A' ' 76' ' ' HIS . 6.5 p80 -47.82 159.9 0.15 Allowed 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.098 0.874 . . . . 1.0 109.752 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.36 146.92 27.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 1.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.4 t -117.74 112.45 38.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 1.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t0 54.06 40.77 31.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 1.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.67 38.7 73.16 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.136 . . . . 1.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -136.0 101.05 4.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 1.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -43.56 124.52 3.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 1.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.0 t -139.51 157.56 45.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 1.0 110.027 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -145.67 56.08 1.2 Allowed 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.053 -0.976 . . . . 1.0 109.869 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.424 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -95.2 142.82 27.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -43.39 146.19 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 1.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.483 ' HA ' ' HAB' ' A' ' 251' ' ' HEM . 0.1 OUTLIER -46.81 -32.7 3.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 1.0 108.289 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.65 61.57 0.35 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 1.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.424 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 27.6 t -100.39 167.67 10.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 1.0 110.016 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.6 m -57.9 137.38 56.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 1.0 110.014 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 55.68 46.03 83.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 1.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.421 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 19.5 m -145.35 -143.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.341 -0.985 . . . . 1.0 108.341 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -90.47 81.65 5.95 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.738 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -136.07 47.58 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 1.0 109.34 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -152.92 95.04 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.574 HD22 ' O1A' ' A' ' 305' ' ' HEM . 22.1 mt -94.79 17.98 12.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 1.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.71 -7.16 25.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 1.0 110.404 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.541 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -85.81 -52.97 5.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 1.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 3.7 tmtm? 90.6 -37.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 1.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.2 129.4 19.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 1.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 142.3 178.53 18.41 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.532 1.145 . . . . 1.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.07 15.94 4.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.78 . . . . 1.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -128.8 35.49 4.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 1.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -133.57 148.56 51.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 1.0 110.007 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.698 HD23 ' O1D' ' A' ' 305' ' ' HEM . 44.2 tp -107.05 40.45 1.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 1.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -132.39 -35.44 1.16 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.819 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -86.85 -1.62 57.94 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.923 -0.561 . . . . 1.0 109.831 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.4 m -119.39 3.18 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 1.0 109.343 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -103.68 -44.76 9.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 1.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.678 ' O ' ' C ' ' A' ' 70' ' ' ALA . 33.8 m80 -97.47 -81.42 0.43 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.045 -0.979 . . . . 1.0 109.76 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 1.064 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 13.97 91.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 1.0 109.264 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.41 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -93.81 21.86 6.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 1.0 110.284 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -101.93 -160.96 26.6 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.129 . . . . 1.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.41 100.43 11.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 1.0 110.278 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.064 HD11 ' CB ' ' A' ' 70' ' ' ALA . 63.8 mt -108.17 175.7 5.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 1.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -51.2 69.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 1.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.455 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 15.6 m80 -105.95 -139.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 1.0 109.578 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.3 m -126.71 105.49 8.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 1.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.854 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.55 166.56 14.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 1.0 109.976 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.41 ' C ' ' N ' ' A' ' 81' ' ' ALA . 8.7 m -61.48 -66.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 1.0 108.276 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -48.8 -21.89 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 1.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.777 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -66.68 -72.13 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.548 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 53.8 t -47.83 -63.15 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 108.315 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.434 ' ND1' ' HB3' ' A' ' 97' ' ' LEU . 15.6 m170 -36.77 -45.24 0.53 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.998 -1.001 . . . . 1.0 109.752 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 t -43.12 -42.5 4.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 1.0 109.965 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.2 ttmt -74.57 -45.34 46.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 1.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.648 HG11 ' CD1' ' A' ' 97' ' ' LEU . 94.1 t -52.69 -40.33 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 1.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 57.1 t -54.15 -23.18 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -87.9 14.94 7.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 1.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -117.2 -38.85 3.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 1.0 110.292 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.423 ' N ' ' HD3' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -130.58 65.12 75.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 1.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.439 ' HD3' ' C ' ' A' ' 89' ' ' GLU . 61.8 Cg_exo -46.78 -22.69 2.03 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.271 3.314 . . . . 1.0 109.603 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -87.93 29.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 1.0 110.264 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 95' ' ' LYS . 13.0 mt -139.35 -70.27 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 1.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 98' ' ' THR . 15.3 tttt 52.85 -90.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 1.0 109.349 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 93' ' ' LEU . 7.4 mttm -39.37 -49.16 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 1.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.708 ' C ' HD23 ' A' ' 97' ' ' LEU . 4.0 t70 -35.33 -38.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 1.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.708 HD23 ' C ' ' A' ' 96' ' ' ASP . 6.1 mt -111.54 -21.89 11.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 1.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 94' ' ' LYS . 67.5 p -118.38 -139.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 110.385 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.86 131.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.142 . . . . 1.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.52 ' SG ' ' CMB' ' A' ' 305' ' ' HEM . 84.1 m -75.21 -30.5 60.62 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.314 -0.995 . . . . 1.0 108.314 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.74 164.36 25.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 1.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 52.75 59.63 4.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 1.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.0 p -142.61 -175.51 4.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 1.0 109.985 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -89.96 4.35 50.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 1.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -113.34 -49.25 2.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 1.0 108.282 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -121.09 83.12 37.87 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 114.951 -1.022 . . . . 1.0 109.755 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo . . . . . 0 N--CA 1.448 -1.188 0 C-N-CA 124.274 3.316 . . . . 1.0 109.561 179.884 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.736 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.531 ' O1A' HD22 ' A' ' 74' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.587 ' C1C' HBC1 ' A' ' 233' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.817 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 122.087 0.946 . . . . 1.0 109.354 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.57 ' HG2' ' CG ' ' A' ' 43' ' ' TYR . 96.3 Cg_exo -41.68 118.81 0.93 Allowed 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.302 3.335 . . . . 1.0 109.626 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -40.82 123.55 1.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 1.0 109.293 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.4 123.7 85.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 1.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -71.48 120.67 7.1 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.311 3.341 . . . . 1.0 109.589 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -83.53 6.57 19.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 1.0 109.32 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -105.38 152.34 39.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 1.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -76.39 138.79 20.16 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.319 3.346 . . . . 1.0 109.611 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.595 HG21 HBD1 ' A' ' 233' ' ' HEM . 30.6 m -124.22 129.52 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 1.0 109.257 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.86 144.53 31.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.2 t -117.92 67.04 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 1.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.37 102.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 1.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.48 -150.34 9.98 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 1.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.472 ' HB3' ' CGA' ' A' ' 305' ' ' HEM . 0.1 OUTLIER -55.06 -67.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 1.0 109.98 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.33 44.51 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 1.0 110.272 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -160.48 135.6 7.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.6 m -97.61 128.88 44.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 1.0 110.385 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.0 t -135.46 126.65 45.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 1.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -98.73 135.84 39.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 1.0 110.961 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.736 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 37.0 t80 -119.54 116.45 33.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 1.0 111.026 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.761 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 79.6 Cg_endo -85.32 138.92 6.73 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.296 3.331 . . . . 1.0 109.6 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -87.65 -30.76 20.18 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.18 0.925 . . . . 1.0 109.815 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.906 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.82 -54.29 24.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 1.0 109.255 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.906 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 37.9 Cg_exo -64.37 -5.64 10.23 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.332 3.355 . . . . 1.0 109.572 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.475 ' CD2' ' CBC' ' A' ' 233' ' ' HEM . 63.6 m80 -133.2 38.66 3.31 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 124.109 0.881 . . . . 1.0 109.811 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 6.8 tt0 -97.51 5.11 50.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 1.0 110.317 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.6 -5.19 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 1.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.6 t -101.52 118.38 48.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 1.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.427 ' O ' ' HB ' ' A' ' 32' ' ' THR . 5.5 mp0 -42.77 144.96 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 1.0 110.338 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 34' ' ' HIS . 4.4 m -59.35 -64.67 0.86 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 1.0 108.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.542 HG13 ' H ' ' A' ' 32' ' ' THR . 3.1 p -38.7 -57.61 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 1.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.542 ' H ' HG13 ' A' ' 31' ' ' VAL . 16.6 m -35.77 -32.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 1.0 110.428 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.511 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.9 OUTLIER -107.42 -57.09 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 1.0 108.303 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 30' ' ' CYS . 96.6 m-70 -81.74 72.21 8.78 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.99 -1.005 . . . . 1.0 109.722 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.552 ' HB2' ' CD2' ' A' ' 76' ' ' HIS . 1.7 p80 -42.07 160.55 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 O-C-N 124.112 0.882 . . . . 1.0 109.704 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.33 151.68 22.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 1.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 79.5 t -115.81 113.5 43.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 1.0 109.346 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 55.54 41.46 30.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 1.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.5 31.39 77.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.107 . . . . 1.0 110.982 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.66 129.61 35.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.763 . . . . 1.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.75 147.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 1.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.412 ' O ' ' CG ' ' A' ' 43' ' ' TYR . 4.1 t -142.91 141.63 31.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 1.0 110.016 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.57 ' CG ' ' HG2' ' A' ' 2' ' ' PRO . 97.2 m-85 -157.93 43.9 0.31 Allowed 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.992 -1.004 . . . . 1.0 109.863 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' LYS . . . -105.52 149.31 26.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 1.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -40.06 144.93 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 1.0 109.265 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.484 ' SG ' HD11 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -49.25 -24.94 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 1.0 108.282 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -117.96 66.69 0.35 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.561 1.163 . . . . 1.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.2 t -100.85 167.46 10.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 0.754 . . . . 1.0 110.03 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.31 131.21 37.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 1.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.44 38.82 96.93 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 1.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.411 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 18.2 m -136.51 -145.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -89.31 82.1 6.56 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.001 -1.0 . . . . 1.0 109.734 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -133.1 54.77 1.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 1.0 109.254 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.13 96.49 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 1.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.461 ' N ' HD12 ' A' ' 55' ' ' LEU . 6.3 mp -97.42 19.95 12.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -97.43 -7.05 32.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 1.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.54 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -86.47 -50.47 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 1.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 2.2 tppt? 90.34 -21.02 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 1.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -161.96 134.39 5.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 1.0 109.338 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 140.26 175.77 14.67 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 1.0 111.012 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.31 10.87 6.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 1.0 110.262 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.71 33.66 5.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 1.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -132.91 151.55 52.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 1.0 110.028 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.484 HD11 ' SG ' ' A' ' 46' ' ' CYS . 43.9 tp -110.03 42.39 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -134.36 -36.2 0.89 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.816 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.435 ' O ' ' CD2' ' A' ' 66' ' ' TYR . 84.0 t80 -87.01 4.18 42.94 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 118.918 -0.563 . . . . 1.0 109.84 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.4 m -124.47 1.2 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 1.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.977 HG21 ' CGD' ' A' ' 305' ' ' HEM . 2.3 t -103.32 -46.53 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 1.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.682 ' O ' ' C ' ' A' ' 70' ' ' ALA . 38.0 m80 -94.16 -80.81 0.39 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.96 -1.018 . . . . 1.0 109.775 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 1.069 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 12.15 92.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.412 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -94.84 21.27 7.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 1.0 110.269 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.12 -157.75 25.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.113 . . . . 1.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -83.87 105.12 14.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 1.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.069 HD11 ' CB ' ' A' ' 70' ' ' ALA . 79.6 mt -113.47 -178.91 3.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 1.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -50.38 71.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 1.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.552 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 18.9 m80 -108.8 -139.71 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.0 109.588 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.2 m -124.16 104.68 8.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 1.0 110.38 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.855 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.35 165.96 15.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 1.0 109.96 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.417 ' C ' ' N ' ' A' ' 81' ' ' ALA . 9.2 m -61.47 -66.86 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 1.0 108.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -48.42 -22.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 1.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.797 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -65.16 -69.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 1.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.525 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 47.7 t -51.73 -61.84 2.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 1.0 108.292 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -37.75 -29.69 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.74 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' CYS . 5.6 t -59.3 -49.05 79.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 1.0 110.056 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.547 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -68.21 -37.05 80.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 1.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.479 HG11 HD12 ' A' ' 97' ' ' LEU . 80.7 t -57.0 -48.07 82.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 1.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.786 HG21 HG21 ' A' ' 98' ' ' THR . 24.2 t -55.58 -20.46 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 1.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -85.54 10.33 13.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.403 ' C ' ' HD3' ' A' ' 91' ' ' PRO . 4.2 tp10 -125.69 -45.29 1.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 1.0 110.279 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.792 ' HG2' HD13 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -122.16 75.32 40.72 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 1.0 109.26 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.403 ' HD3' ' C ' ' A' ' 89' ' ' GLU . 74.0 Cg_exo -45.41 -22.89 1.09 Allowed 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.301 3.334 . . . . 1.0 109.621 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.557 ' O ' HD12 ' A' ' 93' ' ' LEU . 3.8 pt-20 -85.46 20.29 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 1.0 110.302 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.792 HD13 ' HG2' ' A' ' 90' ' ' LYS . 6.6 mp -130.45 13.7 5.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 1.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -61.17 -58.47 8.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.91 35.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 1.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.497 ' OD2' ' CG ' ' A' ' 104' ' ' LYS . 0.8 OUTLIER -133.05 -46.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.479 HD12 HG11 ' A' ' 86' ' ' VAL . 7.8 mt -101.68 -15.06 17.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.786 HG21 HG21 ' A' ' 87' ' ' VAL . 1.2 p -136.58 38.46 2.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 1.0 110.41 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.64 130.92 10.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 1.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 76.8 m -70.06 -29.91 67.03 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.81 170.9 15.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 1.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 47.27 39.34 8.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 1.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 94.5 p -121.64 -168.31 1.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 1.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.497 ' CG ' ' OD2' ' A' ' 96' ' ' ASP . 0.1 OUTLIER -92.52 7.15 44.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 1.0 109.329 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -118.07 -54.12 2.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 1.0 108.336 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -113.44 65.04 1.08 Allowed Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.779 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.415 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 42.6 Cg_endo . . . . . 0 N--CA 1.448 -1.188 0 C-N-CA 124.267 3.311 . . . . 1.0 109.577 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.736 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.471 ' HAB' ' HA ' ' A' ' 46' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.584 ' C1C' HBC1 ' A' ' 233' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.977 ' CGD' HG21 ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 122.107 0.956 . . . . 1.0 109.318 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -61.19 155.54 50.64 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.337 3.358 . . . . 1.0 109.62 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.46 125.32 25.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 1.0 109.255 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.0 p -53.36 125.51 43.54 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 1.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.548 ' HG2' ' ND1' ' A' ' 22' ' ' HIS . 43.0 Cg_endo -69.68 125.47 12.22 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.328 3.352 . . . . 1.0 109.566 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.6 p30 -85.39 9.09 16.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 1.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.22 147.44 44.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 1.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -79.37 126.31 6.79 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.303 3.335 . . . . 1.0 109.583 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.738 HG23 ' O1D' ' A' ' 233' ' ' HEM . 19.0 m -101.35 141.79 17.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.0 109.327 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.36 141.39 50.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 1.0 110.262 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.808 HG22 ' O1D' ' A' ' 233' ' ' HEM . 34.0 t -114.57 64.81 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 1.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 11' ' ' VAL . 6.8 mmtt -39.37 146.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 1.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -144.44 -149.87 5.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.447 1.092 . . . . 1.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -57.36 -73.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 1.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.427 ' N ' ' OG ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -146.03 46.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 110.325 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.557 ' HD2' ' CE1' ' A' ' 106' ' ' HIS . 0.2 OUTLIER -162.4 110.28 1.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 1.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.6 m -81.77 134.78 35.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 1.0 110.355 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.4 t -139.43 127.46 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 1.0 109.284 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -103.16 136.6 42.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.683 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 22.6 t80 -117.63 122.91 30.26 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 1.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.741 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 34.4 Cg_endo -87.39 137.95 4.47 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.302 3.335 . . . . 1.0 109.589 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.548 ' ND1' ' HG2' ' A' ' 5' ' ' PRO . 4.7 m80 -87.45 -33.11 19.16 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 124.134 0.896 . . . . 1.0 109.785 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.924 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.71 -54.87 19.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 1.0 109.243 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.924 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 26.2 Cg_exo -65.02 -4.95 9.86 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.313 3.342 . . . . 1.0 109.586 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.518 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 70.3 m80 -133.65 38.75 3.23 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 124.159 0.912 . . . . 1.0 109.78 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.539 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 10.6 tt0 -101.4 7.69 42.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 1.0 110.311 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.45 -4.8 10.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 1.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.2 t -102.47 117.68 48.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 1.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.548 ' OE1' HG12 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -39.5 134.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.075 . . . . 1.0 110.323 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.6 m -49.77 -61.13 2.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 1.0 108.315 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.548 HG12 ' OE1' ' A' ' 29' ' ' GLU . 7.6 p -40.27 -52.93 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 1.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.478 ' N ' HG13 ' A' ' 31' ' ' VAL . 3.7 m -36.9 -32.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.592 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.9 OUTLIER -110.4 -54.22 2.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 1.0 108.283 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -83.61 75.25 10.06 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.008 -0.996 . . . . 1.0 109.782 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -48.65 159.71 0.22 Allowed 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.118 0.886 . . . . 1.0 109.778 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.42 150.74 25.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 1.0 109.286 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.2 t -124.56 113.07 34.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 1.0 109.248 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 52.83 40.69 31.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 1.0 109.279 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.01 31.39 61.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.118 . . . . 1.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.45 93.13 3.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.787 . . . . 1.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -44.25 124.19 3.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 1.0 110.317 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.2 t -134.21 158.55 43.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 1.0 110.035 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -142.89 56.72 1.41 Allowed 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.029 -0.987 . . . . 1.0 109.854 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.86 148.7 23.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -39.98 142.8 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 1.0 109.254 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.53 ' HA ' ' HAB' ' A' ' 251' ' ' HEM . 0.1 OUTLIER -50.58 -36.57 35.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 1.0 108.313 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.09 51.43 0.96 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 1.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.704 ' OG ' HMC3 ' A' ' 251' ' ' HEM . 0.0 OUTLIER -69.35 154.34 42.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 1.0 109.983 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.0 98.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 1.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.81 -40.35 2.35 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 1.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 55.6 m -63.53 -129.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.317 -0.994 . . . . 1.0 108.317 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -86.04 72.13 10.48 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.999 -1.001 . . . . 1.0 109.772 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -126.81 51.49 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 1.0 109.318 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -150.95 90.67 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 1.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 14' ' ' SER . 0.5 OUTLIER -97.69 20.49 11.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 1.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.56 -5.88 24.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 1.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -85.9 -49.64 7.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 1.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 11.8 tptm 90.65 -23.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 1.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -164.44 125.34 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 1.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 154.53 -177.99 31.57 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.106 . . . . 1.0 111.047 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -85.09 14.54 4.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 1.0 110.338 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 1.7 mttt -136.06 40.19 2.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 1.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -135.47 143.86 46.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 1.0 110.03 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.6 tp -101.94 38.67 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 1.0 109.353 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -131.5 -37.39 1.21 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.827 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -87.77 -2.0 58.33 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 118.944 -0.551 . . . . 1.0 109.861 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.472 HG12 ' O1A' ' A' ' 251' ' ' HEM . 10.7 m -118.69 2.32 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -101.79 -49.27 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 1.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.688 ' O ' ' C ' ' A' ' 70' ' ' ALA . 31.4 m80 -92.95 -80.13 0.38 Allowed 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.988 -1.006 . . . . 1.0 109.763 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.949 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 11.69 89.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 1.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.434 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -91.93 29.63 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 1.0 110.282 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.87 -164.23 18.57 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 1.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -79.14 102.03 8.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 1.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.949 HD11 ' CB ' ' A' ' 70' ' ' ALA . 86.4 mt -110.09 158.82 17.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 1.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -45.31 -31.78 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 1.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -123.68 -142.73 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 1.0 109.595 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.9 m -126.77 105.15 8.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 1.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.882 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -68.6 165.78 18.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 1.0 110.008 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 16.2 m -60.92 -67.03 0.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 1.0 108.329 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.96 -22.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 1.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.812 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -63.82 -70.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 1.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.521 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 52.5 t -49.86 -60.01 3.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 1.0 108.27 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -40.39 -30.8 0.12 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.024 -0.989 . . . . 1.0 109.798 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -48.99 67.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 1.0 109.986 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -66.73 -38.65 87.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 1.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.4 t -59.89 -49.86 82.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 1.0 109.258 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.462 HG21 HG21 ' A' ' 98' ' ' THR . 3.3 t -53.96 -32.08 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -66.78 -9.64 39.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 1.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.67 -43.42 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 1.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.503 ' O ' ' CD2' ' A' ' 93' ' ' LEU . 4.8 ttmt -127.31 72.82 77.37 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 1.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -80.57 29.8 0.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.332 3.355 . . . . 1.0 109.619 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.635 ' C ' HD22 ' A' ' 93' ' ' LEU . 13.0 pt-20 -87.58 22.78 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 1.0 110.31 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.804 HD22 ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -119.24 -70.89 0.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 1.0 109.298 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.5 tttt 74.66 -74.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 1.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.99 44.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 1.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.475 ' CB ' ' HB3' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -130.34 -44.91 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 1.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.462 ' CD1' ' HG ' ' A' ' 93' ' ' LEU . 74.5 mt -106.65 -19.02 13.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 1.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.462 HG21 HG21 ' A' ' 87' ' ' VAL . 2.2 p -131.29 27.38 4.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 1.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.57 133.24 11.23 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.552 1.157 . . . . 1.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 68.2 m -69.08 -29.4 67.5 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.291 -1.003 . . . . 1.0 108.291 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -139.94 172.85 12.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 45.79 38.05 3.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 1.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.3 p -119.98 -177.29 3.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 1.0 109.948 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.29 -0.5 55.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 1.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -108.54 -49.46 3.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 1.0 108.31 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.557 ' CE1' ' HD2' ' A' ' 16' ' ' LYS . 91.6 m-70 -117.19 58.06 2.11 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.75 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 106' ' ' HIS . 55.5 Cg_endo . . . . . 0 N--CA 1.447 -1.238 0 C-N-CA 124.327 3.352 . . . . 1.0 109.621 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.808 ' O1D' HG22 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.704 HMC3 ' OG ' ' A' ' 48' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.552 ' C1C' HBC1 ' A' ' 233' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.816 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 122.107 0.956 . . . . 1.0 109.312 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -44.51 121.48 3.29 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.331 3.354 . . . . 1.0 109.582 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -43.44 125.48 3.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 1.0 109.272 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' ' 4' ' ' VAL . 8.7 p -59.46 116.72 17.51 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 1.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -45.86 135.08 13.95 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.315 3.343 . . . . 1.0 109.626 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -84.23 7.46 19.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 1.0 109.306 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.23 152.62 77.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 1.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -74.84 162.98 36.5 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.252 3.301 . . . . 1.0 109.615 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.13 144.32 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 1.0 109.28 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -82.85 145.99 29.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.0 110.325 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.894 HG13 ' O1D' ' A' ' 233' ' ' HEM . 15.0 t -120.59 69.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 1.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.76 141.41 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.68 -149.36 5.54 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 1.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.434 ' OG ' ' N ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -57.76 -74.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 1.0 110.024 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.434 ' N ' ' OG ' ' A' ' 14' ' ' SER . 0.7 OUTLIER -147.19 46.65 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 1.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -161.05 94.17 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 1.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.3 m -70.95 133.7 46.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 1.0 110.416 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.2 t -140.42 127.01 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 1.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.8 ptp -103.06 138.83 39.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 1.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.753 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 19.5 t80 -116.04 124.44 29.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 1.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.742 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 32.5 Cg_endo -87.85 138.6 4.36 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.278 3.319 . . . . 1.0 109.582 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -87.64 -33.26 18.89 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 124.1 0.875 . . . . 1.0 109.753 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.912 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.95 -54.82 21.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 1.0 109.311 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.912 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 26.1 Cg_exo -65.31 -5.19 10.72 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.323 3.349 . . . . 1.0 109.616 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.444 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 70.1 m80 -134.7 40.57 2.95 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 124.172 0.92 . . . . 1.0 109.762 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.18 9.74 39.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 1.0 110.314 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.3 -3.5 9.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 1.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.7 t -103.34 123.02 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 1.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 32' ' ' THR . 2.2 mt-10 -44.63 134.07 5.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 1.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.6 m -49.99 -59.32 3.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 1.0 108.274 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 32' ' ' THR . 7.4 p -39.48 -48.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 1.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.404 ' CB ' ' O ' ' A' ' 29' ' ' GLU . 2.0 m -38.71 -39.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 110.397 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.607 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 1.3 m -105.37 -54.95 2.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 1.0 108.284 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -82.77 72.87 9.84 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.989 -1.005 . . . . 1.0 109.761 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.523 ' HB2' ' CD2' ' A' ' 76' ' ' HIS . 5.2 p80 -48.53 160.55 0.16 Allowed 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.201 0.938 . . . . 1.0 109.765 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.41 147.53 29.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 1.0 109.321 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -121.21 113.09 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 1.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 52.71 41.24 31.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 1.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.96 35.08 62.71 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.55 1.156 . . . . 1.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -133.91 96.11 3.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 0.8 . . . . 1.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.34 123.03 3.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 1.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.7 t -137.86 158.68 43.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 1.0 109.959 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -140.95 56.35 1.56 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.939 -1.028 . . . . 1.0 109.814 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.47 144.92 25.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 1.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.48 149.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 1.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.484 ' HA ' ' HAB' ' A' ' 251' ' ' HEM . 0.0 OUTLIER -50.29 -36.0 29.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 108.285 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -107.71 62.69 0.29 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.479 1.112 . . . . 1.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.8 t -96.51 168.2 10.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.774 . . . . 1.0 110.005 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.8 p -53.39 128.28 27.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 1.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 61.73 51.76 55.24 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.153 . . . . 1.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.437 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 22.3 m -148.31 -142.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.329 -0.989 . . . . 1.0 108.329 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -90.77 82.91 5.69 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.026 -0.988 . . . . 1.0 109.763 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -134.42 48.94 2.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.078 . . . . 1.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -147.2 97.26 2.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.03 18.95 11.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 1.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.87 -38.53 8.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 1.0 110.414 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.549 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -55.79 -56.15 23.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 1.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.1 OUTLIER 91.11 -25.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 1.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.0 pttp -153.22 136.51 15.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 1.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.46 -179.38 17.8 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.571 1.17 . . . . 1.0 110.96 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.427 ' OE2' ' N ' ' A' ' 61' ' ' GLU . 3.7 pm0 -85.08 15.17 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 1.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -131.95 36.97 3.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 1.0 109.35 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -134.12 143.82 48.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 1.0 109.967 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 36.1 tp -101.65 37.74 1.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 109.298 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -131.54 -35.58 1.3 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.022 -0.99 . . . . 1.0 109.835 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -87.68 -0.79 57.38 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.861 -0.59 . . . . 1.0 109.822 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 m -120.47 1.89 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 1.0 109.321 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -102.3 -45.58 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 1.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.672 ' O ' ' C ' ' A' ' 70' ' ' ALA . 34.4 m80 -96.42 -81.19 0.42 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.773 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 1.068 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 14.97 85.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 1.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -85.14 13.39 6.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 1.0 110.324 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.93 -168.93 36.5 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 1.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -80.75 105.69 12.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 1.0 110.327 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.068 HD11 ' CB ' ' A' ' 70' ' ' ALA . 36.8 mt -112.06 173.81 6.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -49.5 -51.07 38.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 1.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.523 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 15.8 m80 -107.98 -139.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 1.0 109.59 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.2 m -125.78 104.76 8.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 1.0 110.449 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.823 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -66.78 166.5 13.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 1.0 109.974 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 81' ' ' ALA . 10.9 m -61.5 -67.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 1.0 108.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.3 mm? -48.24 -22.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 1.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.789 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.52 -70.53 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 1.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.538 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 51.1 t -50.54 -58.67 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 1.0 108.306 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -41.42 -28.19 0.11 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.797 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 2.4 t -58.67 -46.34 87.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 1.0 110.015 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -71.94 -39.3 69.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 1.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.666 HG11 HD12 ' A' ' 97' ' ' LEU . 72.5 t -53.96 -44.69 62.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 1.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.875 HG21 HG21 ' A' ' 98' ' ' THR . 24.2 t -54.75 -28.9 20.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 1.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.09 12.22 10.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 1.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 86' ' ' VAL . 0.6 OUTLIER -123.37 -41.63 2.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 1.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 93' ' ' LEU . 3.3 tttt -124.38 78.25 61.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.45 -15.92 4.57 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.25 3.3 . . . . 1.0 109.627 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.86 30.03 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.076 . . . . 1.0 110.28 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.786 HD22 ' HG ' ' A' ' 97' ' ' LEU . 77.7 mt -109.03 -60.39 1.76 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 1.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt 51.65 -92.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 93' ' ' LEU . 82.2 mttt -104.29 40.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 1.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.553 ' C ' HD23 ' A' ' 97' ' ' LEU . 73.7 m-20 -108.44 -49.89 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 1.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.786 ' HG ' HD22 ' A' ' 93' ' ' LEU . 6.5 mt -108.17 -10.05 15.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 1.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.875 HG21 HG21 ' A' ' 87' ' ' VAL . 5.5 p -140.13 38.43 1.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 1.0 110.399 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -102.36 127.99 9.4 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 1.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 73.4 m -70.14 -30.16 67.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.295 -1.002 . . . . 1.0 108.295 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -146.25 169.6 18.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 1.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 106' ' ' HIS . 39.6 mttt 45.11 49.51 9.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 1.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.9 p -132.18 -166.85 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.19 2.75 51.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 1.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.419 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -117.62 -53.63 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 1.0 108.283 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 102' ' ' LYS . 88.6 m-70 -115.29 81.64 8.5 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.756 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 53.4 Cg_exo . . . . . 0 N--CA 1.446 -1.269 0 C-N-CA 124.368 3.378 . . . . 1.0 109.573 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.894 ' O1D' HG13 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.608 HMD2 ' CGD' ' A' ' 251' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.538 HMC2 ' HB2' ' A' ' 82' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.837 HMC2 HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 122.078 0.942 . . . . 1.0 109.334 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.518 ' HG2' ' CMA' ' A' ' 233' ' ' HEM . 41.2 Cg_endo -67.76 147.76 76.03 Favored 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.261 3.308 . . . . 1.0 109.613 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 2' ' ' PRO . . . -38.65 119.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 1.0 109.307 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.59 120.35 51.81 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 1.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -74.94 125.5 9.4 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.282 3.321 . . . . 1.0 109.603 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 6' ' ' ASP . 15.0 p-10 -85.11 8.99 16.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 1.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.92 94.8 31.25 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 1.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.686 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 10.4 Cg_exo -39.42 142.62 0.4 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.274 3.316 . . . . 1.0 109.594 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.562 HG23 HBD2 ' A' ' 233' ' ' HEM . 0.0 OUTLIER -107.88 148.28 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 1.0 109.259 -179.834 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.7 142.04 29.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 1.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.722 HG22 ' CGD' ' A' ' 233' ' ' HEM . 49.1 t -119.85 68.0 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 1.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 80.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 1.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 11' ' ' VAL . . . -56.01 -110.14 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.525 1.141 . . . . 1.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.595 ' N ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -80.91 -65.81 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 1.0 110.011 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.64 -60.71 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 1.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.02 134.56 56.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 1.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.2 m -98.16 133.42 42.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 110.408 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.0 t -135.95 128.35 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 1.0 109.354 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.98 135.33 48.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 1.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.726 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 19.9 t80 -111.99 126.12 29.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 1.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.761 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 30.4 Cg_endo -88.51 138.93 3.95 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.32 3.347 . . . . 1.0 109.575 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -87.47 -33.13 19.13 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.145 0.903 . . . . 1.0 109.737 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.926 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -48.57 -54.93 22.15 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 1.0 109.275 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.926 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 28.7 Cg_exo -64.92 -5.82 11.47 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.358 3.372 . . . . 1.0 109.582 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.541 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 62.2 m80 -135.0 40.79 2.89 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 124.202 0.939 . . . . 1.0 109.757 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.45 7.39 42.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 1.0 110.321 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.67 -22.19 9.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.554 ' CG1' HG21 ' A' ' 32' ' ' THR . 20.1 t -85.4 122.31 38.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 1.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.439 ' O ' ' CB ' ' A' ' 32' ' ' THR . 1.2 mt-10 -45.67 137.73 5.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 110.299 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 31' ' ' VAL . 4.7 m -50.08 -58.73 4.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 1.0 108.322 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.439 HG13 ' N ' ' A' ' 32' ' ' THR . 14.4 p -37.88 -47.47 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 1.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.554 HG21 ' CG1' ' A' ' 28' ' ' VAL . 3.8 m -38.02 -49.06 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 1.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.606 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 1.6 m -97.27 -54.09 3.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 108.256 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -82.83 68.24 9.23 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.017 -0.992 . . . . 1.0 109.744 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.563 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 7.6 p80 -48.7 160.84 0.16 Allowed 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.148 0.905 . . . . 1.0 109.795 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.432 ' HG ' HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -82.22 152.02 26.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 1.0 109.309 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 82.6 t -123.2 112.79 35.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 1.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 54.05 40.96 32.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 1.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.59 33.57 62.79 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.524 1.14 . . . . 1.0 111.054 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.68 103.09 6.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 1.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -44.8 129.2 7.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 1.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.525 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 37.6 t -142.75 158.78 43.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 1.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.525 ' CD1' ' C ' ' A' ' 42' ' ' SER . 41.1 m-85 -149.12 55.37 0.99 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.865 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.72 149.37 22.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 1.0 109.356 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -40.63 145.92 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 1.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.513 ' HA ' ' HAB' ' A' ' 251' ' ' HEM . 0.1 OUTLIER -48.77 -24.78 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 1.0 108.297 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 45' ' ' LYS . . . -117.27 66.66 0.33 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.524 1.14 . . . . 1.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.4 t -101.84 168.79 9.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 1.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.1 p -55.62 131.23 45.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 1.0 110.025 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.02 33.76 88.06 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.532 1.145 . . . . 1.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.425 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 13.4 m -134.37 -146.54 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -92.01 73.88 5.57 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.99 -1.005 . . . . 1.0 109.744 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -122.71 52.17 1.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 1.0 109.302 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -152.14 95.72 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 1.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.595 HD22 ' N ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -92.8 17.84 9.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 1.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -98.28 -50.09 4.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 1.0 110.428 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.537 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -39.62 -54.22 2.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 1.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 90.14 -35.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 1.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -148.05 115.76 6.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 1.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.75 160.32 9.57 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.505 1.128 . . . . 1.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.83 -17.91 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 1.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 1.5 mptt -99.55 36.17 1.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 1.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 t -131.42 135.48 47.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 1.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.479 HD11 ' SG ' ' A' ' 46' ' ' CYS . 45.8 tp -99.09 37.62 1.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 1.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -129.86 -34.24 1.74 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.864 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -86.16 -5.0 59.28 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 118.961 -0.542 . . . . 1.0 109.878 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.3 m -116.6 3.36 7.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 1.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.953 HG21 ' O2D' ' A' ' 305' ' ' HEM . 2.4 t -102.97 -45.87 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 1.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.694 ' O ' ' C ' ' A' ' 70' ' ' ALA . 44.5 m80 -95.66 -81.48 0.4 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.792 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.985 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 10.36 92.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 1.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.416 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -89.84 22.4 3.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 1.0 110.342 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -101.55 -171.85 28.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 1.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -77.63 95.77 4.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 0.757 . . . . 1.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.985 HD11 ' CB ' ' A' ' 70' ' ' ALA . 73.4 mt -101.15 157.42 16.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 1.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 74' ' ' LEU . 1.5 mmtp -39.72 -33.96 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 1.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 35' ' ' HIS . 5.9 t60 -122.07 -143.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 1.0 109.578 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.406 ' H ' ' CG ' ' A' ' 76' ' ' HIS . 16.6 m -125.7 104.48 8.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 1.0 110.447 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.869 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.76 168.48 11.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 1.0 110.003 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 18.3 m -62.96 -66.21 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 1.0 108.268 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.6 OUTLIER -48.95 -22.48 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 1.0 109.271 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.766 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -63.54 -70.9 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 1.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.528 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 52.6 t -49.6 -61.95 1.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 1.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -38.2 -29.28 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.783 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 4.5 t -58.5 -49.05 78.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 1.0 110.02 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -68.3 -36.66 79.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 1.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 89' ' ' GLU . 93.1 t -58.83 -49.08 84.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.718 HG21 ' CG2' ' A' ' 98' ' ' THR . 6.6 t -54.9 -19.62 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 1.0 109.244 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -83.99 9.08 13.23 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.528 1.142 . . . . 1.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 86' ' ' VAL . 0.8 OUTLIER -122.17 -44.04 2.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 1.0 110.28 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 93' ' ' LEU . 5.2 ttmt -122.71 76.62 47.4 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 1.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -46.73 -21.28 1.36 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.327 3.352 . . . . 1.0 109.583 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.462 ' O ' HD22 ' A' ' 93' ' ' LEU . 6.0 pt-20 -87.6 18.19 4.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 1.0 110.287 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.508 HD13 ' CB ' ' A' ' 96' ' ' ASP . 3.9 mm? -123.34 8.61 9.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 1.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -52.44 65.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 1.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -89.19 35.84 0.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 1.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.508 ' CB ' HD13 ' A' ' 93' ' ' LEU . 0.7 OUTLIER -140.7 -47.36 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 1.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.416 HD21 HBA1 ' A' ' 282' ' ' HEM . 34.3 mt -94.0 -19.52 20.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 1.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.718 ' CG2' HG21 ' A' ' 87' ' ' VAL . 1.5 p -134.55 38.74 3.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 1.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.38 127.23 9.18 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 1.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 71.7 m -69.21 -30.98 69.26 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.83 166.77 24.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 1.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 46.61 44.76 13.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 1.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.14 -161.15 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 1.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -97.29 12.21 33.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 1.0 109.355 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.443 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.7 OUTLIER -127.21 -53.95 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 1.0 108.314 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -110.89 67.56 0.56 Allowed Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.767 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.443 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 43.6 Cg_endo . . . . . 0 N--CA 1.447 -1.219 0 C-N-CA 124.301 3.334 . . . . 1.0 109.615 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.726 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.976 HMD2 ' CGD' ' A' ' 251' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.55 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.953 ' O2D' HG21 ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.788 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 122.054 0.931 . . . . 1.0 109.283 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.788 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 88.5 Cg_exo -40.72 118.38 0.62 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.348 3.366 . . . . 1.0 109.603 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -41.28 123.27 2.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 1.0 109.358 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.85 122.5 79.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 1.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -72.75 123.41 8.97 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.294 3.329 . . . . 1.0 109.618 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.41 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 23.9 p-10 -87.06 11.0 14.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.43 87.64 21.17 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 1.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.611 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 16.8 Cg_exo -42.42 148.86 0.37 Allowed 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.316 3.344 . . . . 1.0 109.616 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.33 148.17 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 1.0 109.313 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.59 146.99 27.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 1.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.641 HG22 ' O2D' ' A' ' 233' ' ' HEM . 19.0 t -123.74 75.38 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 1.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.9 90.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 1.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.439 ' HA2' ' CGD' ' A' ' 305' ' ' HEM . . . -66.32 -147.53 0.08 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 1.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -60.19 3.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 1.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -148.51 47.23 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 1.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.39 111.44 1.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 1.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 91.9 m -79.47 129.12 34.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 1.0 110.396 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 t -140.01 126.54 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 1.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -107.79 134.23 51.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 1.0 111.017 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.635 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 23.8 t80 -110.86 123.41 35.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 1.0 110.956 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.785 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 32.6 Cg_endo -87.98 140.1 4.78 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 124.315 3.344 . . . . 1.0 109.564 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -87.3 -34.34 18.92 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.107 0.88 . . . . 1.0 109.754 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.937 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -48.28 -55.19 19.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 1.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.937 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 31.6 Cg_exo -62.78 -6.93 10.03 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.3 3.333 . . . . 1.0 109.599 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.476 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 69.9 m80 -132.9 40.78 3.21 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 124.161 0.913 . . . . 1.0 109.754 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.565 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 24.6 tt0 -101.18 6.43 43.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 1.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -122.03 -0.78 9.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 1.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.1 t -102.31 125.47 56.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 1.0 109.249 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -44.68 126.49 5.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 1.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.8 m -47.65 -60.64 2.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.127 . . . . 1.0 108.274 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.658 HG23 HD21 ' A' ' 36' ' ' LEU . 2.9 p -39.63 -52.06 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 1.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 31' ' ' VAL . 2.8 m -36.93 -35.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 1.0 110.417 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.569 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.5 OUTLIER -107.13 -51.44 2.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 1.0 108.285 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -84.84 65.53 9.2 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.751 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -43.06 159.83 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.606 0 O-C-N 124.178 0.924 . . . . 1.0 109.759 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.682 ' N ' HD23 ' A' ' 36' ' ' LEU . 1.4 mt -84.02 148.35 26.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 1.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.4 t -117.52 112.49 39.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 1.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 54.5 40.75 32.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 1.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.03 40.09 72.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.545 1.153 . . . . 1.0 111.044 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -127.7 113.56 16.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 1.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.85 98.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 1.0 110.318 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -126.21 157.35 38.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 1.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -139.21 54.08 1.72 Allowed 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.041 -0.981 . . . . 1.0 109.804 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.66 140.57 30.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 1.0 109.335 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.34 145.51 47.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 1.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 1.48 ' SG ' ' CAB' ' A' ' 251' ' ' HEM . 0.1 OUTLIER -48.83 174.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 1.0 108.276 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 52.57 47.98 56.46 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.472 1.107 . . . . 1.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.0 t -115.08 167.58 10.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 1.0 109.957 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 t -64.67 130.3 43.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 1.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' O ' ' HAC' ' A' ' 251' ' ' HEM . . . 70.2 41.89 68.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 1.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.406 ' SG ' ' C ' ' A' ' 50' ' ' GLY . 17.6 m -150.81 -145.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.323 -0.992 . . . . 1.0 108.323 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -88.16 96.81 10.68 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.99 -1.004 . . . . 1.0 109.791 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -146.45 53.51 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 1.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.67 95.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 1.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.04 19.27 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 1.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.05 -6.23 28.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 1.0 110.395 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.55 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -84.74 -50.85 7.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 1.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.55 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 91.08 -27.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 1.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -155.1 136.32 13.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 1.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 137.01 178.71 16.05 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 1.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -84.01 13.27 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 0.744 . . . . 1.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -128.54 35.58 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 1.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -133.9 147.78 51.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 1.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.632 HD23 ' O2D' ' A' ' 305' ' ' HEM . 35.7 tp -105.91 40.54 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 1.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.517 ' CD1' ' O1A' ' A' ' 305' ' ' HEM . 5.7 t80 -133.2 -37.16 0.98 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.842 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -86.87 1.39 52.65 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.89 -0.576 . . . . 1.0 109.798 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.477 HG12 ' O1A' ' A' ' 251' ' ' HEM . 11.1 m -123.0 0.45 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 1.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -102.43 -45.26 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 1.0 109.245 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.682 ' O ' ' C ' ' A' ' 70' ' ' ALA . 35.7 m80 -96.2 -81.19 0.41 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.037 -0.983 . . . . 1.0 109.773 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 1.066 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 13.39 90.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 1.0 109.325 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.417 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -91.55 21.41 4.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 1.0 110.315 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -101.86 -161.33 26.71 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 1.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.37 102.69 12.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 1.0 110.308 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.066 HD11 ' CB ' ' A' ' 70' ' ' ALA . 59.4 mt -110.97 171.14 7.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 1.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -50.92 37.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 1.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -108.15 -139.7 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 1.0 109.609 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.2 m -125.96 104.68 8.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 1.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.861 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -66.22 166.6 11.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 1.0 110.061 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.408 ' C ' ' N ' ' A' ' 81' ' ' ALA . 9.0 m -61.52 -66.16 0.58 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 1.0 108.262 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -48.73 -22.24 0.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 1.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.789 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -65.45 -71.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 1.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.498 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 54.0 t -49.09 -65.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 1.0 108.257 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -34.41 -35.58 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.988 -1.006 . . . . 1.0 109.796 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 1.3 t -53.36 -50.75 64.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 1.0 110.004 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.59 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.8 mmtm -66.2 -37.32 85.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 1.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.535 ' CG1' ' CD1' ' A' ' 97' ' ' LEU . 91.3 t -59.35 -52.09 64.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 1.0 109.258 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.494 HG21 HG23 ' A' ' 98' ' ' THR . 3.0 t -54.35 -19.85 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 1.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -82.86 8.4 12.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 1.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.412 ' C ' ' HD3' ' A' ' 91' ' ' PRO . 1.9 tt0 -121.65 -42.87 2.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 1.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.446 ' HG2' HD13 ' A' ' 93' ' ' LEU . 0.3 OUTLIER -121.65 75.63 35.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.412 ' HD3' ' C ' ' A' ' 89' ' ' GLU . 72.5 Cg_exo -45.84 -21.83 1.08 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.295 3.33 . . . . 1.0 109.627 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.48 ' HG3' HD12 ' A' ' 93' ' ' LEU . 13.3 pt-20 -85.01 20.14 1.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 110.323 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.48 HD12 ' HG3' ' A' ' 92' ' ' GLU . 5.9 mp -130.81 15.09 5.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 1.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -56.04 -56.96 14.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 1.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.11 36.21 0.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 1.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.0 -45.75 1.03 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 1.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.535 ' CD1' ' CG1' ' A' ' 86' ' ' VAL . 32.6 mt -94.32 -33.33 13.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 1.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.494 HG23 HG21 ' A' ' 87' ' ' VAL . 13.4 p -124.16 44.96 2.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 110.43 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -100.25 125.8 8.7 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.139 . . . . 1.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.3 m -70.28 -30.19 67.14 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.345 -0.983 . . . . 1.0 108.345 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.8 167.34 22.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 1.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.36 44.75 1.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 1.0 109.262 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.426 ' OG ' ' N ' ' A' ' 104' ' ' LYS . 3.1 p -119.56 -151.73 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 1.0 110.027 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -106.43 16.88 24.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 1.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.435 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -133.83 -52.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 1.0 108.272 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -111.67 66.4 0.68 Allowed Pre-proline 0 CA--C 1.54 0.569 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.749 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.435 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 29.9 Cg_endo . . . . . 0 N--CA 1.447 -1.239 0 C-N-CA 124.301 3.334 . . . . 1.0 109.588 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.769 HMD2 HBD2 ' A' ' 233' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 1.48 ' CAB' ' SG ' ' A' ' 46' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.58 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.779 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.642 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 122.119 0.961 . . . . 1.0 109.26 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.642 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 84.1 Cg_endo -73.28 154.31 51.33 Favored 'Trans proline' 0 N--CA 1.447 -1.206 0 C-N-CA 124.291 3.328 . . . . 1.0 109.621 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.52 124.04 20.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 1.0 109.305 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.86 124.36 57.52 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 1.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.15 130.93 19.69 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.298 3.332 . . . . 1.0 109.584 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -84.03 7.25 19.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 1.0 109.274 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.9 148.12 42.68 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 1.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -78.62 137.91 14.84 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.35 3.367 . . . . 1.0 109.581 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.47 131.99 49.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 1.0 109.296 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.19 143.53 52.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.519 HG12 ' CGD' ' A' ' 305' ' ' HEM . 20.3 t -124.62 71.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 1.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 94.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.5 -150.01 1.47 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 1.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -62.42 1.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 0.719 . . . . 1.0 110.048 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -146.0 46.55 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 1.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.93 125.83 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 1.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.7 m -93.61 120.04 33.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 1.0 110.391 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.4 t -129.24 126.22 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 1.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -99.86 136.86 39.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 1.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.67 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 24.6 t80 -117.21 122.85 30.65 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 1.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.761 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 34.5 Cg_endo -88.25 138.83 4.13 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.305 3.337 . . . . 1.0 109.622 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -87.63 -33.49 18.81 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 124.137 0.898 . . . . 1.0 109.783 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.917 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.61 -54.79 20.15 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 1.0 109.295 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.917 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 39.7 Cg_exo -63.93 -5.5 9.26 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.316 3.344 . . . . 1.0 109.598 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.488 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 69.9 m80 -134.32 40.19 3.03 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.115 0.885 . . . . 1.0 109.77 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.13 6.33 44.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 1.0 110.286 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.43 -21.57 10.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 1.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.464 HG12 ' HB ' ' A' ' 32' ' ' THR . 18.3 t -85.52 120.94 36.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 1.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.49 137.05 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 1.0 110.258 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' HIS . 7.5 m -49.39 -61.44 2.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 1.0 108.292 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 32' ' ' THR . 4.2 p -40.14 -52.18 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 1.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.464 ' HB ' HG12 ' A' ' 28' ' ' VAL . 2.9 m -37.09 -32.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 1.0 110.383 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.61 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.9 OUTLIER -111.1 -54.72 2.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 1.0 108.32 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.4 m-70 -82.9 73.82 9.91 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 114.955 -1.021 . . . . 1.0 109.72 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.441 ' HB2' ' CD2' ' A' ' 76' ' ' HIS . 2.9 p80 -47.82 161.66 0.09 Allowed 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.148 0.905 . . . . 1.0 109.733 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.43 ' N ' HD23 ' A' ' 36' ' ' LEU . 5.1 mt -85.85 150.6 24.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 1.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.7 t -118.85 112.57 38.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 1.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 54.74 41.29 32.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 1.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.2 38.5 67.7 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 1.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.03 125.54 23.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 1.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -48.46 125.73 10.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.595 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 33.5 t -135.48 150.08 49.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 1.0 110.039 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 42' ' ' SER . 73.2 m-85 -156.97 46.53 0.41 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.01 -0.996 . . . . 1.0 109.802 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 45' ' ' LYS . . . -96.65 153.03 18.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 1.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.429 ' O ' HMC3 ' A' ' 251' ' ' HEM . 1.5 mmtp -39.89 148.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.427 ' HA ' ' HAB' ' A' ' 251' ' ' HEM . 0.1 OUTLIER -49.9 -32.91 15.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 108.332 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.21 65.97 0.31 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 1.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -98.45 168.26 10.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 0.777 . . . . 1.0 109.974 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.2 p -48.05 121.77 4.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 1.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.07 45.94 68.94 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 1.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.425 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 14.0 m -144.43 -145.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -92.66 73.92 5.03 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.766 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -126.73 53.89 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 1.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -159.39 94.55 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 1.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.791 HD21 ' HB3' ' A' ' 64' ' ' LEU . 4.2 mm? -90.56 15.32 11.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 1.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.8 m -72.19 -19.82 61.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 1.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.61 161.05 14.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 1.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.574 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 50.9 tttt -101.35 -4.3 27.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 1.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.67 132.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 1.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 155.95 157.4 8.27 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 1.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.74 -16.88 12.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 0.727 . . . . 1.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -108.95 39.31 2.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 1.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 t -134.47 139.47 45.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 1.0 109.982 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.791 ' HB3' HD21 ' A' ' 55' ' ' LEU . 44.4 tp -99.03 37.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 1.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 3.6 t80 -129.89 -34.53 1.71 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.962 -1.017 . . . . 1.0 109.849 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.45 ' CD2' ' O1A' ' A' ' 251' ' ' HEM . 82.6 t80 -87.57 -1.56 58.02 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 118.871 -0.585 . . . . 1.0 109.799 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.3 m -119.59 5.06 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 1.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -106.19 -42.92 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 1.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.684 ' O ' ' C ' ' A' ' 70' ' ' ALA . 36.3 m80 -98.91 -82.25 0.44 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.035 -0.984 . . . . 1.0 109.736 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.918 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 12.98 90.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 1.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.67 28.1 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 1.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.94 -166.92 20.68 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 1.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -78.43 102.52 7.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 0.793 . . . . 1.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.918 HD11 ' CB ' ' A' ' 70' ' ' ALA . 82.0 mt -110.0 157.59 19.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 1.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.71 -31.21 1.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 1.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.441 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 19.9 m80 -122.17 -142.46 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 1.0 109.553 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 28.4 m -128.99 104.76 7.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 1.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.87 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -69.12 166.73 17.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 1.0 109.985 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.412 ' C ' ' N ' ' A' ' 81' ' ' ALA . 6.1 m -62.15 -66.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 1.0 108.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -48.18 -23.05 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 1.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.784 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.05 -69.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 1.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.46 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 42.1 t -53.18 -62.54 1.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 1.0 108.313 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -37.95 -29.25 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.745 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 82' ' ' CYS . 3.1 p -58.2 -52.09 67.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 1.0 110.016 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 82' ' ' CYS . 0.1 OUTLIER -66.38 -36.66 83.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 1.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.567 HG11 ' CD1' ' A' ' 97' ' ' LEU . 54.6 t -54.0 -40.42 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 1.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.843 HG22 HD11 ' A' ' 93' ' ' LEU . 29.4 t -54.65 -28.48 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 1.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.92 13.11 9.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 1.0 109.255 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 86' ' ' VAL . 1.1 tp10 -125.01 -41.59 2.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.88 77.1 75.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 1.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.408 ' HD3' ' C ' ' A' ' 89' ' ' GLU . 32.4 Cg_exo -56.54 -12.72 9.0 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.335 3.357 . . . . 1.0 109.584 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -86.93 30.06 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 110.294 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.948 HD12 ' N ' ' A' ' 94' ' ' LYS . 1.8 pp -114.41 -51.81 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 1.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.948 ' N ' HD12 ' A' ' 93' ' ' LEU . 0.0 OUTLIER 49.3 -91.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 1.0 109.339 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -105.49 41.82 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 1.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.486 ' HB2' ' CA ' ' A' ' 93' ' ' LEU . 7.6 m-20 -111.05 -38.92 4.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 1.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.567 ' CD1' HG11 ' A' ' 86' ' ' VAL . 18.4 mt -113.18 -11.53 13.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.6 p -144.27 40.84 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.0 110.376 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.2 128.06 9.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 1.0 110.997 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 79.3 m -70.17 -31.84 69.51 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.413 ' O ' ' CG ' ' A' ' 102' ' ' LYS . . . -140.56 173.85 11.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 1.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER 46.5 31.44 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 1.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.5 t -114.85 179.91 3.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 1.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.732 ' HZ3' ' CB ' ' A' ' 105' ' ' CYS . 0.0 OUTLIER -86.0 -3.25 58.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.732 ' CB ' ' HZ3' ' A' ' 104' ' ' LYS . 0.8 OUTLIER -103.73 -39.17 6.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 1.0 108.306 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.557 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 81.5 m-70 -130.08 51.04 6.77 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 114.952 -1.022 . . . . 1.0 109.767 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 106' ' ' HIS . 28.7 Cg_endo . . . . . 0 N--CA 1.447 -1.223 0 C-N-CA 124.326 3.351 . . . . 1.0 109.589 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.67 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.47 ' HHA' ' CBD' ' A' ' 251' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.608 HMA1 ' HD3' ' A' ' 104' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.79 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 122.079 0.942 . . . . 1.0 109.266 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.643 ' HG2' ' CMA' ' A' ' 233' ' ' HEM . 37.8 Cg_endo -62.88 125.76 16.64 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.292 3.328 . . . . 1.0 109.621 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -41.81 129.5 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 1.0 109.284 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.407 ' HB ' HBB2 ' A' ' 233' ' ' HEM . 12.6 p -42.8 128.4 3.13 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 1.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.689 ' HG2' ' ND1' ' A' ' 22' ' ' HIS . 25.7 Cg_endo -63.11 138.31 66.55 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.323 3.349 . . . . 1.0 109.573 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -94.96 25.42 4.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 1.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.486 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -152.63 146.82 18.56 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 1.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.486 ' HD2' ' CG ' ' A' ' 7' ' ' LYS . 57.1 Cg_endo -70.1 135.25 29.19 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.293 3.329 . . . . 1.0 109.64 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.7 m -104.39 144.37 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 1.0 109.262 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.52 140.82 44.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 1.0 110.289 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.1 t -121.21 69.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 1.0 109.311 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -43.62 127.22 4.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 1.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.46 ' HA2' ' CGD' ' A' ' 305' ' ' HEM . . . -114.61 -153.31 10.61 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.5 1.125 . . . . 1.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.476 ' HB3' ' CBA' ' A' ' 305' ' ' HEM . 0.1 OUTLIER -55.7 -71.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 1.0 110.047 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.57 43.43 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 1.0 110.238 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -161.83 137.66 7.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 1.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.6 m -99.47 130.82 45.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 1.0 110.411 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.5 t -133.27 126.62 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 1.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.64 130.02 51.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 1.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.75 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 22.3 t80 -111.06 124.2 33.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 111.023 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.732 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 33.7 Cg_endo -87.97 138.65 4.29 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.367 3.378 . . . . 1.0 109.561 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.689 ' ND1' ' HG2' ' A' ' 5' ' ' PRO . 7.7 m80 -88.06 -32.68 18.63 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 124.135 0.897 . . . . 1.0 109.767 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.9 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.84 -54.27 25.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 1.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.9 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 27.6 Cg_exo -65.47 -4.97 10.46 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.307 3.338 . . . . 1.0 109.58 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.566 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 69.5 m80 -133.7 38.84 3.22 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 124.104 0.877 . . . . 1.0 109.739 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.56 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 8.4 tt0 -100.3 6.73 44.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 1.0 110.275 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -116.06 -9.19 11.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 1.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.409 HG12 ' HB ' ' A' ' 32' ' ' THR . 20.3 t -99.27 125.1 52.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 1.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.96 136.67 11.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 1.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 34' ' ' HIS . 7.1 m -49.58 -61.52 2.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 1.0 108.326 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 32' ' ' THR . 3.4 p -40.31 -52.2 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' VAL . 3.1 m -37.05 -34.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 1.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.614 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.9 OUTLIER -108.35 -55.51 2.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 1.0 108.283 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.5 m-70 -82.1 74.79 9.05 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.957 -1.019 . . . . 1.0 109.713 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.476 ' CG ' ' CE1' ' A' ' 76' ' ' HIS . 3.5 p80 -48.47 161.64 0.12 Allowed 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.162 0.914 . . . . 1.0 109.78 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.52 155.36 21.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 1.0 109.34 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.7 t -120.73 113.54 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 1.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 57.21 41.65 26.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.22 33.5 70.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.568 1.168 . . . . 1.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -137.01 126.9 25.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 1.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -43.8 143.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 1.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.484 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -149.13 147.81 28.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 1.0 110.0 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.484 ' CD1' ' O ' ' A' ' 42' ' ' SER . 79.1 m-85 -154.72 43.1 0.49 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.019 -0.991 . . . . 1.0 109.818 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.13 148.41 22.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 109.336 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.95 144.23 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 1.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.41 ' HA ' ' HAB' ' A' ' 251' ' ' HEM . 0.1 OUTLIER -47.02 -32.18 3.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 1.0 108.3 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.25 63.86 0.28 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.549 1.156 . . . . 1.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.8 t -97.93 168.4 10.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 0.745 . . . . 1.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.5 t -54.55 133.11 46.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 1.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.12 37.32 94.28 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 1.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.9 m -136.31 -145.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.27 -1.011 . . . . 1.0 108.27 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -89.57 80.33 6.69 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.76 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -129.91 55.86 1.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 1.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.61 89.37 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 1.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.08 -17.17 61.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 1.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' ALA . 1.8 m -72.09 -33.35 67.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 110.366 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.523 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -39.54 -62.55 0.67 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 1.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 89.95 -35.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 1.0 109.347 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.72 125.35 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 1.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.21 -178.18 29.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.125 . . . . 1.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.93 15.57 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 1.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -135.87 39.47 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 1.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -134.68 149.29 50.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 1.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.627 HD23 ' CGD' ' A' ' 305' ' ' HEM . 39.8 tp -106.58 40.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -132.42 -37.29 1.08 Allowed 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.967 -1.015 . . . . 1.0 109.829 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -86.58 -4.45 59.17 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 118.843 -0.599 . . . . 1.0 109.782 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.4 m -115.58 2.58 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 1.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.532 HG21 HBD2 ' A' ' 305' ' ' HEM . 2.3 t -100.47 -49.71 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 1.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.676 ' O ' ' C ' ' A' ' 70' ' ' ALA . 22.4 m80 -94.46 -79.7 0.42 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.76 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 1.043 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 14.56 90.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 1.0 109.275 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.37 21.8 5.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 1.0 110.33 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.72 -164.61 25.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 1.0 111.042 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.78 105.07 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 0.75 . . . . 1.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.043 HD11 ' CB ' ' A' ' 70' ' ' ALA . 74.7 mt -114.19 172.68 6.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 1.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -51.28 63.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 1.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.476 ' CE1' ' CG ' ' A' ' 35' ' ' HIS . 8.9 m80 -107.33 -139.37 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 1.0 109.604 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.3 m -126.23 103.97 7.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.849 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -65.13 167.09 8.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 1.0 110.007 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 14.7 m -62.43 -66.15 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 1.0 108.322 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.76 -21.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.113 . . . . 1.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.769 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -65.5 -70.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 1.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.501 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 51.2 t -50.13 -57.81 6.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 1.0 108.321 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.639 ' O ' HG23 ' A' ' 87' ' ' VAL . 11.7 m170 -42.46 -31.34 0.42 Allowed 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 114.979 -1.01 . . . . 1.0 109.791 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 0.8 OUTLIER -58.4 -47.0 85.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 1.0 110.005 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.43 -38.84 74.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.596 HG11 ' CD1' ' A' ' 97' ' ' LEU . 72.2 t -53.89 -37.63 34.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.132 . . . . 1.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 83' ' ' HIS . 79.5 t -55.18 -23.8 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 1.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.96 11.74 10.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 1.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -116.22 -38.08 3.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 1.0 110.314 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.414 ' N ' ' HD3' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -130.6 65.18 75.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 1.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.424 ' HD3' ' C ' ' A' ' 89' ' ' GLU . 63.5 Cg_exo -46.57 -21.89 1.54 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.337 3.358 . . . . 1.0 109.588 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -85.22 29.27 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 110.338 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.529 ' O ' ' C ' ' A' ' 94' ' ' LYS . 14.7 mt -135.04 -74.3 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.529 ' C ' ' O ' ' A' ' 93' ' ' LEU . 2.4 tttm 30.79 53.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 1.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.5 OUTLIER -175.87 -64.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 1.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.428 ' C ' HD23 ' A' ' 97' ' ' LEU . 0.8 OUTLIER -42.05 -28.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 1.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.596 ' CD1' HG11 ' A' ' 86' ' ' VAL . 12.1 mt -107.74 -26.77 10.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 1.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 95' ' ' LYS . 7.2 p -125.32 56.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 1.0 110.408 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -116.57 128.38 7.91 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 1.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.1 m -72.32 -31.54 65.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.32 -0.993 . . . . 1.0 108.32 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 106' ' ' HIS . . . -149.77 172.63 14.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 1.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 44.68 41.52 5.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 1.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.9 p -124.71 -162.39 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 1.0 109.961 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -94.3 8.72 40.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 1.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.448 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.6 OUTLIER -122.41 -53.23 1.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 1.0 108.321 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.4 ' O ' ' HA ' ' A' ' 101' ' ' ALA . 92.5 m-70 -112.28 65.79 0.78 Allowed Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.775 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.448 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 58.7 Cg_endo . . . . . 0 N--CA 1.448 -1.198 0 C-N-CA 124.334 3.356 . . . . 1.0 109.546 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.75 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.996 HMD1 ' CGD' ' A' ' 251' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.552 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.833 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.762 ' HB1' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 122.053 0.93 . . . . 1.0 109.309 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.762 ' CD ' ' HB1' ' A' ' 1' ' ' ALA . 11.4 Cg_exo -72.99 153.37 52.43 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.268 3.312 . . . . 1.0 109.597 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.94 121.66 15.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 1.0 109.286 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.1 p -62.94 121.4 68.44 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 1.0 109.306 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -76.2 125.46 8.54 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.336 3.357 . . . . 1.0 109.555 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.4 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 2.1 p30 -87.57 11.46 14.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 1.0 109.267 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.06 88.87 23.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 1.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.618 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 12.8 Cg_exo -41.2 144.01 0.67 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.344 3.362 . . . . 1.0 109.553 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.68 146.27 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 1.0 109.341 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.92 141.48 32.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 1.0 110.354 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 18' ' ' VAL . 13.4 t -118.45 79.3 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 1.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -65.61 98.44 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 1.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.61 -148.5 1.6 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 1.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -65.86 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 1.0 110.015 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -143.15 45.19 1.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 1.0 110.281 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.83 133.13 6.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 1.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.0 m -95.3 126.82 40.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 1.0 110.43 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 11' ' ' VAL . 40.5 t -132.69 125.99 53.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 1.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -105.48 134.56 48.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 1.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.631 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 19.2 t80 -113.22 124.46 31.42 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 1.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.752 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 34.2 Cg_endo -87.54 138.77 4.67 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.335 3.357 . . . . 1.0 109.59 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -87.18 -34.06 19.15 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 124.116 0.885 . . . . 1.0 109.736 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.927 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.74 -55.23 18.04 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 1.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.927 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 27.8 Cg_exo -64.57 -5.35 9.97 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.33 3.354 . . . . 1.0 109.609 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.419 ' ND1' ' CE1' ' A' ' 20' ' ' PHE . 72.6 m80 -134.39 40.16 3.02 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.149 0.906 . . . . 1.0 109.759 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.21 9.7 38.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 1.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -121.99 -3.2 9.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.4 t -102.5 124.62 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 1.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -43.7 127.23 4.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 1.0 110.307 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.4 m -45.74 -60.36 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 1.0 108.303 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.671 HG22 HD21 ' A' ' 36' ' ' LEU . 4.0 t -40.53 -51.86 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 1.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 31' ' ' VAL . 3.5 m -37.5 -31.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 110.372 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.569 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.5 OUTLIER -110.99 -50.89 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 1.0 108.323 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -85.88 73.8 10.28 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.746 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -50.45 160.33 0.41 Allowed 'General case' 0 CA--C 1.539 0.538 0 O-C-N 124.131 0.895 . . . . 1.0 109.739 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.752 ' N ' HD23 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -83.65 152.34 24.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 1.0 109.311 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 71.8 t -122.03 111.66 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 1.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 52.39 40.62 29.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 1.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.82 33.21 62.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 1.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -129.27 109.27 10.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 1.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -45.28 122.06 3.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 1.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.424 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 12.0 t -135.17 158.43 44.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 1.0 109.997 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.446 ' CD2' ' HG2' ' A' ' 2' ' ' PRO . 75.9 m-85 -152.45 56.17 0.81 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.044 -0.98 . . . . 1.0 109.819 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.434 ' O ' HMC2 ' A' ' 251' ' ' HEM . . . -110.32 151.03 27.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 1.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.564 ' O ' HMC3 ' A' ' 251' ' ' HEM . 4.9 ttpt -53.31 153.32 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 1.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.9 m -53.44 -35.91 61.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 1.0 108.344 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.61 56.45 1.95 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.116 . . . . 1.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.8 t -104.91 166.83 10.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 1.0 109.965 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.1 p -51.66 121.38 6.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 1.0 109.99 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.447 ' O ' ' HAC' ' A' ' 251' ' ' HEM . . . 63.61 55.57 24.41 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.535 1.147 . . . . 1.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.1 m -149.3 -142.9 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.354 -0.98 . . . . 1.0 108.354 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -92.25 84.6 5.24 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.026 -0.988 . . . . 1.0 109.758 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 14.6 p-10 -132.64 61.27 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 1.0 109.34 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -159.94 98.04 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 1.0 109.341 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.571 HD21 ' HB3' ' A' ' 64' ' ' LEU . 3.6 mm? -91.04 15.86 10.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 1.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -105.4 -43.48 4.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 1.0 110.389 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.539 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -37.75 -55.91 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 1.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.539 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER 90.5 -37.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 1.0 109.279 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -153.83 134.54 13.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.558 1.161 . . . . 1.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 140.01 -177.9 20.23 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 1.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -85.33 15.68 4.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 1.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -133.64 38.54 3.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 1.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 t -135.39 142.89 45.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 1.0 110.015 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.571 ' HB3' HD21 ' A' ' 55' ' ' LEU . 44.6 tp -102.46 39.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 1.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.431 ' CE2' ' HE2' ' A' ' 58' ' ' LYS . 5.5 t80 -131.73 -35.31 1.28 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.835 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -88.02 -1.15 57.82 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.933 -0.556 . . . . 1.0 109.817 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.2 m -119.0 2.0 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 1.0 109.29 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.604 HG11 ' O2D' ' A' ' 305' ' ' HEM . 2.2 t -100.75 -48.68 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 1.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.676 ' O ' ' C ' ' A' ' 70' ' ' ALA . 27.3 m80 -94.53 -79.86 0.41 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.737 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.968 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 13.94 87.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 1.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.418 ' CD ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -89.26 21.48 3.25 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.49 1.119 . . . . 1.0 110.279 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.93 -168.85 26.18 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 1.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -77.75 104.11 8.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 1.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.968 HD11 ' CB ' ' A' ' 70' ' ' ALA . 69.2 mt -110.5 166.15 11.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 1.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.405 ' HB2' HAA2 ' A' ' 251' ' ' HEM . 0.0 OUTLIER -51.47 -31.38 23.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 1.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -124.0 -145.27 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.152 . . . . 1.0 109.589 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.7 m -124.36 104.89 9.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 1.0 110.403 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.829 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -68.8 166.51 17.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 1.0 109.988 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.41 ' C ' ' N ' ' A' ' 81' ' ' ALA . 17.4 m -61.53 -66.99 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 1.0 108.325 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -47.89 -22.71 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 1.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.804 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -63.82 -70.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 1.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.555 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 49.7 t -49.59 -59.7 3.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 1.0 108.296 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.808 ' O ' HG23 ' A' ' 87' ' ' VAL . 12.4 m170 -40.29 -28.01 0.05 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.049 -0.978 . . . . 1.0 109.775 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 4.6 t -65.27 -50.77 64.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 1.0 109.986 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.48 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -66.09 -38.96 89.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 1.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 44.4 t -55.85 -46.15 79.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 83' ' ' HIS . 69.6 t -55.6 -27.03 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 1.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -79.04 2.62 19.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 1.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.15 -46.73 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 1.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.46 ' O ' HD11 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -128.44 74.82 79.79 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -81.33 22.8 0.79 Allowed 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.309 3.339 . . . . 1.0 109.567 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.3 25.68 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 1.0 110.339 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.574 HD22 ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -123.06 -63.77 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 1.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 93' ' ' LEU . 10.4 tttt 70.09 -94.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 1.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.83 36.25 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 1.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.485 ' CB ' ' HB3' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -119.86 -41.21 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 1.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.574 ' HG ' HD22 ' A' ' 93' ' ' LEU . 10.7 mt -109.08 -25.26 10.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 1.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.601 HG21 HG21 ' A' ' 87' ' ' VAL . 3.9 p -129.17 36.69 4.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 1.0 110.404 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.09 130.67 10.3 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.109 . . . . 1.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 74.8 m -69.3 -29.86 67.81 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.298 -1.001 . . . . 1.0 108.298 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -140.0 173.13 11.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 1.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.6 mttt 44.31 46.41 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 1.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 71.7 p -129.99 -174.91 3.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 1.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -85.72 -6.24 59.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 1.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.1 m -104.51 -46.25 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 1.0 108.327 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -123.4 81.76 53.07 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 114.993 -1.003 . . . . 1.0 109.776 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo . . . . . 0 N--CA 1.447 -1.254 0 C-N-CA 124.336 3.357 . . . . 1.0 109.565 179.927 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.631 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.564 HMC3 ' O ' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.555 HMC2 ' HB2' ' A' ' 82' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.814 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.699 ' HB1' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 122.059 0.933 . . . . 1.0 109.325 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.699 ' CD ' ' HB1' ' A' ' 1' ' ' ALA . 8.0 Cg_exo -74.36 149.24 39.62 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.322 3.348 . . . . 1.0 109.619 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.56 122.12 16.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 1.0 109.291 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.9 p -58.85 121.79 57.11 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 1.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.38 125.51 9.12 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.338 3.359 . . . . 1.0 109.622 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.4 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 6.5 p-10 -87.67 11.79 14.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 1.0 109.344 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.28 88.18 22.24 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 1.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.591 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 12.2 Cg_exo -41.3 143.24 0.84 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.342 3.361 . . . . 1.0 109.601 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.32 147.85 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 109.317 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.38 142.87 31.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 1.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' VAL . 19.3 t -117.32 71.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 1.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -59.34 95.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 1.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.71 -146.51 0.7 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 1.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -65.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 1.0 110.007 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.91 44.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 1.0 110.248 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.39 132.94 7.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 1.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.7 m -97.61 121.21 39.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 1.0 110.394 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 11' ' ' VAL . 47.2 t -127.57 126.19 66.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 1.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.0 ptp -103.41 134.13 47.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.702 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 21.1 t80 -112.73 124.92 30.78 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 1.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.739 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 32.9 Cg_endo -87.59 138.38 4.49 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.385 3.39 . . . . 1.0 109.57 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -87.92 -32.62 18.83 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 124.159 0.912 . . . . 1.0 109.76 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.919 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -48.74 -55.0 22.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.919 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 27.0 Cg_exo -64.75 -5.49 10.52 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.305 3.337 . . . . 1.0 109.619 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.486 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 70.1 m80 -133.91 39.13 3.16 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 124.105 0.878 . . . . 1.0 109.771 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.5 6.1 44.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 1.0 110.296 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.15 -19.77 10.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 1.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -86.46 125.13 40.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 1.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.4 133.89 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 1.0 110.3 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' VAL . 8.2 m -48.85 -61.77 1.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 1.0 108.293 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' CYS . 2.6 t -39.9 -51.26 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 1.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' VAL . 2.3 m -37.39 -35.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 1.0 110.432 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.603 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.8 OUTLIER -107.43 -52.35 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 1.0 108.306 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -84.94 72.42 10.8 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.779 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.672 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 2.2 p80 -47.78 160.68 0.12 Allowed 'General case' 0 CA--C 1.54 0.567 0 O-C-N 124.13 0.894 . . . . 1.0 109.756 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.65 154.92 24.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 1.0 109.355 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.9 t -125.03 112.6 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 1.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 54.74 40.33 31.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 1.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.78 32.4 61.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 1.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.92 102.75 5.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 1.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -43.96 129.56 5.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.458 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 41.4 t -146.68 157.68 43.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 1.0 110.008 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 42' ' ' SER . 29.5 m-85 -143.32 56.77 1.38 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.827 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.529 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -96.93 149.23 22.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 1.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.562 ' O ' HMC3 ' A' ' 251' ' ' HEM . 17.5 tttt -40.01 149.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 1.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.555 ' HA ' ' HAB' ' A' ' 251' ' ' HEM . 0.1 OUTLIER -47.51 -38.06 13.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 1.0 108.29 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.32 63.85 0.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.1 . . . . 1.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.529 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 28.1 t -97.83 167.56 10.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 1.0 110.035 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' SER . 1.6 t -39.14 123.52 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 1.0 110.033 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.459 ' O ' ' HAC' ' A' ' 251' ' ' HEM . . . 58.06 55.31 31.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 1.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.439 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 14.2 m -146.13 -145.76 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.277 -1.009 . . . . 1.0 108.277 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -94.73 82.15 3.89 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.94 -1.027 . . . . 1.0 109.77 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -134.05 54.33 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 1.0 109.283 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -158.41 93.08 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 1.0 109.289 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.473 ' N ' HD12 ' A' ' 55' ' ' LEU . 5.2 mp -89.79 14.38 12.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 1.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.0 m -71.47 -20.82 62.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 1.0 110.436 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.97 161.67 14.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 1.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.443 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -101.83 -4.69 25.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 1.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -171.79 132.75 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 1.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 150.25 157.89 7.96 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 1.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.64 -27.27 48.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 0.776 . . . . 1.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 54' ' ' ASP . 0.5 OUTLIER -94.67 33.13 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 1.0 109.268 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.4 t -131.76 137.08 48.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 1.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.497 ' O ' ' CGD' ' A' ' 305' ' ' HEM . 48.2 tp -99.74 36.66 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.443 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 5.8 t80 -129.28 -34.71 1.83 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.949 -1.023 . . . . 1.0 109.814 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.621 ' O ' ' CD2' ' A' ' 66' ' ' TYR . 67.2 t80 -88.92 10.58 20.84 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.895 -0.574 . . . . 1.0 109.819 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.8 m -131.43 9.34 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 1.0 109.31 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.922 HG21 ' O2D' ' A' ' 305' ' ' HEM . 3.1 t -115.74 -49.02 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 1.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.697 ' O ' ' C ' ' A' ' 70' ' ' ALA . 48.4 m80 -89.48 -63.77 1.24 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 114.944 -1.026 . . . . 1.0 109.76 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.957 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . -6.19 109.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 1.0 109.307 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.457 ' NH2' HBB2 ' A' ' 305' ' ' HEM . 0.3 OUTLIER -103.83 17.5 23.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 1.0 110.27 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.54 -179.47 32.27 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.528 1.142 . . . . 1.0 111.031 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -71.55 94.23 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 1.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.957 HD11 ' CB ' ' A' ' 70' ' ' ALA . 44.7 mt -98.12 155.75 16.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 1.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -43.03 -28.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 1.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.672 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 8.9 m-70 -124.87 -142.63 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 1.0 109.621 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.9 m -131.18 106.24 8.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 110.38 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.807 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.01 166.47 13.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 1.0 109.968 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.4 ' C ' ' N ' ' A' ' 81' ' ' ALA . 13.8 m -62.17 -67.1 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 1.0 108.288 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -48.0 -23.26 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 1.0 109.338 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.19 -70.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 1.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.427 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 46.0 t -50.51 -55.52 15.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 1.0 108.328 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.848 ' O ' HG23 ' A' ' 87' ' ' VAL . 9.9 m170 -45.25 -25.65 0.4 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.975 -1.011 . . . . 1.0 109.724 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 2.5 t -61.18 -48.94 79.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 109.999 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 3.9 mmpt? -69.44 -37.14 77.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 1.0 109.272 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.51 HG11 ' CD1' ' A' ' 97' ' ' LEU . 85.4 t -56.57 -42.14 75.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 1.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 83' ' ' HIS . 98.2 t -54.47 -23.06 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -86.95 13.34 9.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 1.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.432 ' C ' ' HD3' ' A' ' 91' ' ' PRO . 0.1 OUTLIER -116.71 -36.8 3.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 1.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.576 ' HB3' HD12 ' A' ' 93' ' ' LEU . 3.2 tttt -130.5 65.85 77.01 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 1.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.432 ' HD3' ' C ' ' A' ' 89' ' ' GLU . 56.7 Cg_exo -47.54 -21.38 2.16 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.346 3.364 . . . . 1.0 109.583 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -85.07 28.38 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 1.0 110.323 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.576 HD12 ' HB3' ' A' ' 90' ' ' LYS . 32.5 mt -133.9 -74.68 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 1.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.55 ' C ' ' O ' ' A' ' 93' ' ' LEU . 3.9 ttmt 28.84 62.46 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 1.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.515 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.1 OUTLIER 177.31 -60.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 1.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.41 -20.39 4.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 1.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.51 ' CD1' HG11 ' A' ' 86' ' ' VAL . 17.6 mt -111.59 -33.38 6.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.623 HG21 HG21 ' A' ' 87' ' ' VAL . 3.8 p -127.48 57.02 1.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 1.0 110.379 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -116.97 126.55 7.02 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 1.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.9 m -70.75 -30.21 66.66 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.308 -0.997 . . . . 1.0 108.308 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -147.67 163.66 35.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 1.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt 50.8 57.09 7.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 1.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.9 p -140.97 -153.56 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 1.0 109.971 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.61 16.11 24.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 1.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.23 -51.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.179 . . . . 1.0 108.29 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -118.72 82.65 20.64 Favored Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.755 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo . . . . . 0 N--CA 1.448 -1.204 0 C-N-CA 124.326 3.351 . . . . 1.0 109.598 179.867 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.702 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.562 HMC3 ' O ' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.585 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.922 ' O2D' HG21 ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.76 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 122.067 0.937 . . . . 1.0 109.328 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.76 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 61.1 Cg_endo -67.02 144.39 69.69 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.334 3.356 . . . . 1.0 109.592 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.33 127.93 34.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 1.0 109.31 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.5 p -46.77 121.83 6.91 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 1.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -75.95 127.02 9.75 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.343 3.362 . . . . 1.0 109.589 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 12.4 p-10 -87.98 11.06 16.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 1.0 109.313 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 92.06 27.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 1.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.699 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 12.6 Cg_exo -40.94 140.69 1.1 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.278 3.319 . . . . 1.0 109.614 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.02 147.32 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.0 109.284 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' O ' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -82.05 141.53 33.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 110.264 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.954 HG22 ' CGD' ' A' ' 233' ' ' HEM . 33.9 t -119.87 68.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 1.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.55 80.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 1.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' VAL . . . -55.73 -109.87 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.113 . . . . 1.0 111.036 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.69 -65.37 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 1.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.97 -60.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 1.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 137.02 57.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 1.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.3 m -97.84 133.61 42.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 1.0 110.38 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.9 t -136.03 127.79 44.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 1.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.5 130.84 55.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 1.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.741 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 19.5 t80 -106.41 125.65 32.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 1.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.768 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 29.8 Cg_endo -88.85 139.42 3.83 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.29 3.326 . . . . 1.0 109.626 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -87.54 -33.6 18.88 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 124.164 0.915 . . . . 1.0 109.787 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.909 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -48.23 -54.8 22.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.909 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 38.3 Cg_exo -63.85 -6.35 10.77 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.357 3.372 . . . . 1.0 109.597 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.458 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 65.1 m80 -134.13 41.26 2.99 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 124.185 0.928 . . . . 1.0 109.793 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.24 5.84 46.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 1.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.98 -21.81 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 1.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.6 t -84.89 125.26 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 1.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.429 ' HB2' ' OG1' ' A' ' 32' ' ' THR . 6.9 mm-40 -50.11 137.73 17.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 1.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' VAL . 4.0 m -50.94 -58.33 6.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 1.0 108.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' CYS . 3.6 p -37.33 -50.02 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 1.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 31' ' ' VAL . 1.9 m -35.96 -53.11 0.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 1.0 110.363 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.589 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 1.9 m -92.29 -54.72 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 1.0 108.288 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.403 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.1 m-70 -82.08 67.95 8.28 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.768 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -48.14 160.37 0.15 Allowed 'General case' 0 CA--C 1.539 0.537 0 O-C-N 124.191 0.932 . . . . 1.0 109.801 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.23 150.96 28.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 1.0 109.278 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.1 t -122.85 112.67 34.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 1.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t0 54.09 40.78 31.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 1.0 109.254 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.11 34.69 62.68 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 1.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -133.77 102.13 5.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 0.798 . . . . 1.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.2 128.19 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 1.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.461 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 30.9 t -140.97 156.47 46.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 1.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 42' ' ' SER . 49.4 m-85 -147.16 56.44 1.12 Allowed 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.834 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.47 145.51 26.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.409 ' C ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -39.84 144.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 1.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.469 ' HA ' ' HAB' ' A' ' 251' ' ' HEM . 0.1 OUTLIER -49.35 -24.86 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 1.0 108.282 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 45' ' ' LYS . . . -116.07 65.17 0.32 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 1.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -105.53 168.88 8.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.76 . . . . 1.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.0 m -59.31 135.36 57.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 1.0 109.997 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.75 38.98 96.99 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 1.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.441 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 13.8 m -144.25 -145.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.32 -0.993 . . . . 1.0 108.32 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -92.71 78.72 4.81 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.767 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -125.28 57.27 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 1.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.442 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.4 OUTLIER -153.04 91.42 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 1.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.47 -10.29 56.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 1.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 m -71.63 -15.75 62.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 1.0 110.356 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.02 161.33 17.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 1.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.558 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -110.37 -15.45 13.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 1.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -174.12 138.59 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 1.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 146.3 157.26 7.24 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.595 1.185 . . . . 1.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -18.38 11.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 0.791 . . . . 1.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 2.6 mttp -105.25 35.02 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 1.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -131.75 134.19 45.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.158 . . . . 1.0 110.013 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.407 HD11 ' SG ' ' A' ' 46' ' ' CYS . 42.0 tp -95.59 34.42 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 1.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 2.3 t80 -127.1 -33.33 2.43 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.974 -1.012 . . . . 1.0 109.829 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -87.61 -2.75 58.83 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 118.882 -0.58 . . . . 1.0 109.84 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.3 m -119.57 5.24 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 1.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 t -106.17 -44.17 7.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 1.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.694 ' O ' ' C ' ' A' ' 70' ' ' ALA . 47.0 m80 -97.15 -81.72 0.42 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.044 -0.98 . . . . 1.0 109.795 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.977 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 10.73 90.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 1.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.16 24.78 2.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 1.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.05 -165.49 24.92 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 1.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -81.56 98.62 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 1.0 110.32 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.977 HD11 ' CB ' ' A' ' 70' ' ' ALA . 75.9 mt -105.36 157.93 16.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -42.87 -36.19 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -117.41 -142.14 0.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 1.0 109.623 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.5 m -128.7 103.97 7.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 1.0 110.434 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.876 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.41 167.36 12.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 1.0 110.029 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 12.8 m -62.14 -65.87 0.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 1.0 108.3 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.6 OUTLIER -49.5 -22.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 1.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.777 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.8 -69.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 1.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 85' ' ' LYS . 51.5 t -51.15 -60.57 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 1.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.412 ' O ' HG23 ' A' ' 87' ' ' VAL . 11.8 m170 -39.78 -33.01 0.17 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.743 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.09 -46.73 84.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 1.0 110.022 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 82' ' ' CYS . 0.8 OUTLIER -68.75 -36.82 78.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 1.0 109.283 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.536 HG11 ' CD1' ' A' ' 97' ' ' LEU . 92.8 t -59.2 -41.87 85.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 1.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 83' ' ' HIS . 32.9 t -54.88 -25.03 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 1.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.92 12.35 9.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 1.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 86' ' ' VAL . 4.2 tt0 -115.87 -36.3 4.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 1.0 110.249 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' N ' ' HD3' ' A' ' 91' ' ' PRO . 3.3 tttt -131.85 66.15 77.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 1.0 109.256 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' A' ' 90' ' ' LYS . 53.1 Cg_exo -48.66 -20.61 2.83 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.268 3.312 . . . . 1.0 109.626 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.76 28.82 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 1.0 110.273 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.505 ' O ' ' C ' ' A' ' 94' ' ' LYS . 15.3 mt -135.33 -74.26 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 1.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER 31.12 68.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 1.0 109.271 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 98' ' ' THR . 0.5 OUTLIER 171.2 -65.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 1.0 109.328 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.46 ' C ' HD23 ' A' ' 97' ' ' LEU . 1.6 t70 -39.42 -30.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.536 ' CD1' HG11 ' A' ' 86' ' ' VAL . 10.3 mt -106.58 -30.17 9.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 1.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.462 ' O ' ' O ' ' A' ' 95' ' ' LYS . 44.2 p -109.8 -143.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 1.0 110.412 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 64.18 133.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.52 1.137 . . . . 1.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.506 ' SG ' ' CMB' ' A' ' 305' ' ' HEM . 83.4 m -74.58 -29.92 61.51 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.286 -1.005 . . . . 1.0 108.286 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.86 166.52 22.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 1.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.29 44.79 24.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 1.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.2 p -130.08 -179.58 5.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 1.0 110.028 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.73 3.59 50.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 1.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.443 ' C ' ' CD ' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -109.06 -49.54 3.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 1.0 108.3 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.48 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 90.0 m-70 -118.05 55.59 2.16 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 115.068 -0.969 . . . . 1.0 109.771 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 106' ' ' HIS . 38.4 Cg_endo . . . . . 0 N--CA 1.447 -1.215 0 C-N-CA 124.359 3.372 . . . . 1.0 109.56 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.954 ' CGD' HG22 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.594 HMD2 ' CGD' ' A' ' 251' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.588 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.809 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.523 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 122.128 0.966 . . . . 1.0 109.272 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.57 ' HG2' HMB3 ' A' ' 233' ' ' HEM . 9.8 Cg_endo -48.92 155.77 2.44 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.324 3.35 . . . . 1.0 109.593 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.55 118.85 17.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 1.0 109.344 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.587 HG11 ' OE2' ' A' ' 26' ' ' GLU . 9.6 p -62.49 123.29 78.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 1.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -72.03 126.78 12.15 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.286 3.324 . . . . 1.0 109.617 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -76.62 -1.84 29.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 1.0 109.282 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -110.9 148.46 38.66 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 1.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -79.37 142.13 16.44 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.3 3.333 . . . . 1.0 109.584 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.484 HG11 ' CGA' ' A' ' 233' ' ' HEM . 1.4 m -105.05 142.72 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 1.0 109.366 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.49 141.03 34.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 1.0 110.273 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.685 HG13 ' O2D' ' A' ' 233' ' ' HEM . 20.4 t -122.46 69.53 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -52.65 103.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 1.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.17 -149.61 7.79 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.539 1.149 . . . . 1.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.477 ' HB3' ' CAA' ' A' ' 305' ' ' HEM . 0.0 OUTLIER -54.7 -67.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 1.0 110.0 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.04 43.74 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 110.25 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.27 137.56 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 1.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.5 m -98.53 128.11 44.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 1.0 110.41 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.7 t -131.28 125.92 57.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 1.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -101.88 130.44 48.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 1.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.68 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 23.3 t80 -112.5 123.01 34.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 1.0 110.996 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.701 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 35.1 Cg_endo -87.22 137.49 4.41 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.345 3.364 . . . . 1.0 109.56 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -88.03 -32.84 18.59 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.189 0.931 . . . . 1.0 109.753 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.946 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.53 -55.19 17.6 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 1.0 109.294 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.946 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 24.3 Cg_exo -64.94 -4.6 9.13 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.315 3.343 . . . . 1.0 109.622 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.573 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 70.6 m80 -133.47 38.39 3.28 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.178 0.924 . . . . 1.0 109.756 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.587 ' OE2' HG11 ' A' ' 4' ' ' VAL . 6.6 tt0 -102.08 8.4 40.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 1.0 110.307 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.56 -5.64 10.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 1.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.8 t -103.71 117.23 48.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 1.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -39.18 137.67 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 1.0 110.276 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' HIS . 5.3 m -51.93 -61.91 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 1.0 108.289 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.487 HG13 ' H ' ' A' ' 32' ' ' THR . 2.9 p -38.73 -55.71 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 1.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.487 ' H ' HG13 ' A' ' 31' ' ' VAL . 7.9 m -34.77 -35.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.0 110.394 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.592 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.9 OUTLIER -106.16 -54.79 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 1.0 108.322 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.2 m-70 -83.33 68.66 9.77 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.986 -1.006 . . . . 1.0 109.776 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.538 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 2.1 p80 -40.39 159.18 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.1 0.875 . . . . 1.0 109.75 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.79 152.17 24.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 1.0 109.31 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.3 t -121.58 111.71 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 1.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.16 40.47 31.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 1.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.42 33.42 66.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 1.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.18 101.99 5.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 1.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -43.71 130.48 5.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 1.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.414 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 10.6 t -146.03 154.2 41.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 1.0 109.996 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.449 ' CG ' ' HG3' ' A' ' 2' ' ' PRO . 23.4 m-85 -140.39 54.75 1.61 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.891 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.13 145.3 24.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 1.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.403 ' C ' ' N ' ' A' ' 47' ' ' GLY . 2.5 ttmt -39.84 143.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 1.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.545 ' HA ' ' HAB' ' A' ' 251' ' ' HEM . 0.1 OUTLIER -47.84 -27.06 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 1.0 108.299 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 45' ' ' LYS . . . -118.38 67.39 0.35 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.437 1.086 . . . . 1.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.2 t -107.04 165.87 11.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 1.0 109.978 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 m -51.73 136.06 28.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 1.0 110.041 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.41 41.84 98.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.416 1.072 . . . . 1.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.5 m -143.77 -143.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -93.19 82.79 4.56 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.064 -0.971 . . . . 1.0 109.736 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -129.5 55.67 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 109.273 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.5 OUTLIER -153.65 97.9 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 1.0 109.268 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.474 HD21 ' O1D' ' A' ' 305' ' ' HEM . 5.8 mt -95.08 18.65 11.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 1.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -108.56 -46.99 3.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 1.0 110.394 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.528 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -37.78 -59.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 1.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.1 OUTLIER 90.33 -37.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 1.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -143.14 128.63 19.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 1.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 145.22 178.44 20.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.477 1.111 . . . . 1.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -88.94 20.81 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 0.788 . . . . 1.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 11.1 mtmt -137.38 46.11 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 1.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 t -136.75 148.14 47.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 1.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.505 HD23 ' CGD' ' A' ' 305' ' ' HEM . 47.3 tp -105.32 40.3 1.56 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 1.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -132.77 -36.29 1.06 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.853 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.401 ' O ' ' CD2' ' A' ' 66' ' ' TYR . 81.2 t80 -88.25 2.19 52.86 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 118.883 -0.58 . . . . 1.0 109.813 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.2 m -121.77 5.12 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 1.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.1 t -105.61 -49.42 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 1.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.68 ' O ' ' C ' ' A' ' 70' ' ' ALA . 29.2 m80 -92.71 -79.63 0.39 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.997 -1.001 . . . . 1.0 109.721 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.926 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 13.08 90.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 1.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.46 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -90.54 26.72 1.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 1.0 110.335 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.27 -170.35 19.81 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 1.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.54 108.53 7.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 0.727 . . . . 1.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.926 HD11 ' CB ' ' A' ' 70' ' ' ALA . 80.1 mt -116.64 155.57 28.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 1.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' HB2' HAA2 ' A' ' 251' ' ' HEM . 10.1 mtmt -39.98 -30.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 1.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.538 ' CD2' ' HB3' ' A' ' 35' ' ' HIS . 12.0 t60 -126.17 -141.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 1.0 109.649 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.407 ' H ' ' CG ' ' A' ' 76' ' ' HIS . 6.4 m -128.24 104.34 7.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 1.0 110.385 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.842 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -66.58 166.18 13.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 109.995 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.413 ' C ' ' N ' ' A' ' 81' ' ' ALA . 12.2 m -60.47 -67.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 1.0 108.272 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.68 -22.52 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 1.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.814 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -65.21 -70.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 1.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.501 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 51.8 t -48.81 -61.54 1.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 1.0 108.334 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.423 ' ND1' ' HB3' ' A' ' 97' ' ' LEU . 11.9 m170 -38.85 -29.01 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.749 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.432 ' OG ' ' NE ' ' A' ' 71' ' ' ARG . 2.7 t -68.11 -51.9 41.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 1.0 110.032 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 82' ' ' CYS . 7.1 mmtt -63.35 -32.62 74.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 1.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.7 t -65.86 -55.17 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 1.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.45 HG21 HG21 ' A' ' 98' ' ' THR . 3.4 t -54.41 -28.54 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 1.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.19 -5.6 33.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 1.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.65 -42.23 3.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 1.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.6 72.34 77.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 1.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -82.99 33.42 0.53 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.304 3.336 . . . . 1.0 109.609 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -90.74 30.25 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 1.0 110.326 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.1 mt -134.96 -61.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 1.0 109.259 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER 52.66 58.31 5.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 1.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 94' ' ' LYS . 4.9 mtmt 165.61 -52.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 98' ' ' THR . 3.2 m-20 -70.22 140.95 52.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 1.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.496 ' C ' ' CG2' ' A' ' 98' ' ' THR . 1.9 mt 68.47 4.52 4.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 1.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.496 ' CG2' ' C ' ' A' ' 97' ' ' LEU . 5.6 p -153.15 23.11 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 1.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -106.21 131.45 10.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 1.0 110.957 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 72.6 m -68.98 -28.87 67.01 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.296 -1.002 . . . . 1.0 108.296 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -147.16 171.51 15.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 1.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 106' ' ' HIS . 0.1 OUTLIER 41.04 45.96 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 1.0 109.253 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.5 t -126.26 -164.4 1.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 1.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.96 6.36 42.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 1.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.426 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 0.6 OUTLIER -123.24 -54.15 1.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 1.0 108.25 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 102' ' ' LYS . 92.2 m-70 -110.53 77.67 1.33 Allowed Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 115.017 -0.992 . . . . 1.0 109.785 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 57.2 Cg_endo . . . . . 0 N--CA 1.447 -1.248 0 C-N-CA 124.35 3.366 . . . . 1.0 109.592 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.745 HMD1 HBD1 ' A' ' 233' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.575 HMD2 ' CGD' ' A' ' 251' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.565 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.823 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 122.03 0.919 . . . . 1.0 109.325 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.462 ' O ' ' CMB' ' A' ' 233' ' ' HEM . 76.9 Cg_exo -45.57 120.28 3.21 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.307 3.338 . . . . 1.0 109.608 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 2' ' ' PRO . . . -40.55 122.2 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 1.0 109.314 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 4' ' ' VAL . 9.5 p -59.72 113.06 6.27 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 1.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -48.01 127.78 15.42 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.308 3.338 . . . . 1.0 109.611 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -88.03 3.77 47.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 1.0 109.312 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -123.07 96.23 44.98 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 1.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -38.64 146.91 0.13 Allowed 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.336 3.357 . . . . 1.0 109.549 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.72 147.43 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 1.0 109.288 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.05 141.95 28.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 1.0 110.318 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.458 ' CG2' ' CGD' ' A' ' 233' ' ' HEM . 40.5 t -118.07 83.67 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 1.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -71.36 92.1 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 1.0 109.35 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.06 -146.44 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 1.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.417 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -54.24 -65.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 1.0 109.996 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -146.12 44.19 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 1.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.18 124.77 4.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 1.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.2 m -90.53 129.09 36.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 1.0 110.379 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.5 t -135.23 125.36 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 1.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.2 mtm -96.71 137.73 35.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 1.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.746 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 6.2 t80 -123.34 97.77 42.23 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 1.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.557 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 16.5 Cg_exo -66.88 138.96 50.16 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.306 3.338 . . . . 1.0 109.581 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -84.45 -23.91 29.75 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 124.135 0.897 . . . . 1.0 109.747 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.945 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -50.35 -55.62 24.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 1.0 109.267 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.945 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 25.7 Cg_exo -63.12 -7.11 11.01 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.311 3.341 . . . . 1.0 109.601 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.437 ' CE1' ' CE1' ' A' ' 20' ' ' PHE . 51.2 m80 -132.62 40.57 3.26 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 124.174 0.921 . . . . 1.0 109.741 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.25 5.2 44.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 1.0 110.315 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -118.29 -18.29 9.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 1.0 109.279 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 t -85.38 128.8 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 1.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.46 136.92 19.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 1.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' VAL . 6.8 m -54.21 -63.58 1.1 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 1.0 108.305 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 32' ' ' THR . 7.5 p -38.9 -55.39 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 1.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.515 ' N ' HG13 ' A' ' 31' ' ' VAL . 10.1 m -35.2 -35.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 1.0 110.366 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.565 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.8 OUTLIER -105.45 -55.03 2.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.175 . . . . 1.0 108.286 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -81.82 76.42 8.72 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.74 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.589 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 2.6 p80 -51.78 159.13 0.86 Allowed 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.141 0.901 . . . . 1.0 109.755 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.01 151.2 23.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 1.0 109.302 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.607 HG12 ' OD1' ' A' ' 38' ' ' ASP . 77.2 t -116.12 110.76 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 1.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.607 ' OD1' HG12 ' A' ' 37' ' ' VAL . 0.7 OUTLIER 52.0 40.0 27.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 1.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.16 31.29 76.33 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 1.0 110.991 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.73 100.26 6.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 1.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -50.17 119.94 4.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 1.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.2 t -143.68 159.36 42.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 1.0 110.014 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -139.33 55.03 1.69 Allowed 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.821 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.417 ' O ' HMC2 ' A' ' 251' ' ' HEM . . . -98.2 147.75 24.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 1.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.518 ' O ' HMC3 ' A' ' 251' ' ' HEM . 0.7 OUTLIER -54.53 149.98 9.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 1.0 109.268 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.6 m -51.19 -31.78 21.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 1.0 108.296 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -95.07 55.11 1.83 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.463 1.102 . . . . 1.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.6 t -107.68 168.16 9.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 1.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.41 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 2.7 m -48.38 126.54 11.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 1.0 109.972 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.424 ' O ' ' HAC' ' A' ' 251' ' ' HEM . . . 54.96 55.25 28.88 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 1.0 110.968 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.468 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 14.4 m -145.48 -145.5 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.278 -1.008 . . . . 1.0 108.278 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -94.88 87.45 4.98 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.731 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -138.73 54.62 1.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 1.0 109.324 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -152.8 99.88 2.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 1.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.417 ' CD1' ' HA ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -92.81 17.73 10.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 1.0 109.339 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.5 -47.69 3.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 1.0 110.345 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -39.24 -61.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 1.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 90.48 -31.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 1.0 109.314 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -143.75 139.77 29.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.157 . . . . 1.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 123.4 178.83 15.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 1.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.07 15.86 3.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 1.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 7.0 mmtt -124.56 34.18 5.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 1.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.2 t -132.17 139.98 48.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 1.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.9 tp -98.91 36.75 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 1.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -130.3 -34.33 1.63 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.007 -0.997 . . . . 1.0 109.805 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -86.97 -2.77 58.87 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 118.917 -0.563 . . . . 1.0 109.834 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.3 m -118.13 3.18 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 1.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 t -102.78 -46.12 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 1.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.668 ' O ' ' C ' ' A' ' 70' ' ' ALA . 31.3 m80 -97.34 -81.32 0.43 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.042 -0.981 . . . . 1.0 109.792 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 1.008 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 15.7 90.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 1.0 109.317 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.72 26.08 4.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 1.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -107.87 -159.3 20.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.449 1.093 . . . . 1.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.75 105.6 12.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 0.736 . . . . 1.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.008 HD11 ' CB ' ' A' ' 70' ' ' ALA . 81.9 mt -116.23 171.22 7.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -56.55 -50.78 70.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 1.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.589 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 6.8 m-70 -105.7 -139.34 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 1.0 109.546 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.2 m -127.61 104.67 8.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 1.0 110.373 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.862 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -66.83 166.98 12.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 1.0 110.027 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.402 ' C ' ' N ' ' A' ' 81' ' ' ALA . 11.2 m -61.36 -67.34 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 1.0 108.318 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -48.08 -23.39 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 1.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.78 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.24 -71.17 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 1.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.578 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 54.1 t -49.9 -59.97 3.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 1.0 108.326 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.603 ' O ' HG23 ' A' ' 87' ' ' VAL . 12.4 m170 -40.36 -28.47 0.06 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.021 -0.991 . . . . 1.0 109.759 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 5.3 p -58.79 -45.14 90.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 1.0 110.02 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 82' ' ' CYS . 1.5 tppp? -73.5 -40.74 63.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 1.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.611 HG11 HD12 ' A' ' 97' ' ' LEU . 70.0 t -51.34 -42.62 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 1.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.615 HG21 HG21 ' A' ' 98' ' ' THR . 56.9 t -54.91 -27.44 18.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 1.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.6 12.63 10.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 1.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 86' ' ' VAL . 0.6 OUTLIER -122.56 -41.33 2.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 1.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.662 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -123.71 76.32 56.11 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 1.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.406 ' HD3' ' C ' ' A' ' 89' ' ' GLU . 51.7 Cg_exo -49.66 -18.63 2.77 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.312 3.342 . . . . 1.0 109.577 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.5 28.78 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 1.0 110.32 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.662 HD13 ' HB3' ' A' ' 90' ' ' LYS . 3.5 mp -106.64 -59.33 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 1.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.1 tttt 52.26 -91.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 1.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 93' ' ' LEU . 10.3 mtmm -107.0 41.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 1.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -104.8 -50.22 3.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 1.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.611 HD12 HG11 ' A' ' 86' ' ' VAL . 10.7 mt -106.72 -9.64 16.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 1.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.615 HG21 HG21 ' A' ' 87' ' ' VAL . 8.3 p -138.53 38.13 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 1.0 110.442 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.27 127.7 9.2 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 1.0 111.049 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 73.6 m -69.48 -29.47 67.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -143.42 172.58 12.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 1.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.1 pttt 41.7 36.43 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 1.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 64.2 p -114.28 -170.46 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -89.75 5.66 45.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 1.0 109.238 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.411 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -118.77 -53.72 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 1.0 108.303 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -112.86 65.64 0.9 Allowed Pre-proline 0 CA--C 1.54 0.576 0 CA-C-N 114.987 -1.006 . . . . 1.0 109.752 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.411 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 51.9 Cg_endo . . . . . 0 N--CA 1.447 -1.234 0 C-N-CA 124.348 3.365 . . . . 1.0 109.558 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.746 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.593 HMD2 ' CGD' ' A' ' 251' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.62 ' C1C' HBC1 ' A' ' 233' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.814 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.469 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 122.055 0.931 . . . . 1.0 109.336 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.736 ' HG2' ' CMA' ' A' ' 233' ' ' HEM . 18.3 Cg_endo -58.29 139.67 91.45 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.282 3.321 . . . . 1.0 109.597 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -50.53 127.12 17.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 109.28 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -46.02 123.55 6.54 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 1.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -71.35 129.35 15.79 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.321 3.347 . . . . 1.0 109.61 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -81.8 4.09 23.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 1.0 109.296 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.72 148.07 39.0 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 1.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -79.42 137.85 13.47 Favored 'Trans proline' 0 N--CA 1.448 -1.181 0 C-N-CA 124.286 3.324 . . . . 1.0 109.596 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -101.78 131.36 49.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 1.0 109.294 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.22 144.99 54.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 1.0 110.269 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.48 HG22 ' CGD' ' A' ' 233' ' ' HEM . 21.7 t -125.89 72.72 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 1.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -56.46 96.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 1.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.94 -151.16 2.58 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 1.0 111.049 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -62.29 1.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 1.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -146.47 46.34 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -163.41 130.02 3.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 38.2 m -93.84 127.6 39.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 1.0 110.381 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.3 t -136.16 125.81 39.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.36 135.0 43.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 1.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.649 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 22.7 t80 -114.89 122.95 32.72 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 1.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.733 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 35.3 Cg_endo -87.54 138.53 4.58 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.3 3.333 . . . . 1.0 109.552 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -87.84 -33.91 18.41 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 124.17 0.919 . . . . 1.0 109.761 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.935 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.17 -55.11 16.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 1.0 109.269 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.935 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 31.9 Cg_exo -64.1 -5.33 9.19 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.282 3.322 . . . . 1.0 109.583 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.488 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 70.7 m80 -133.85 39.15 3.17 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.148 0.905 . . . . 1.0 109.763 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.71 6.76 44.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 1.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.48 -21.29 10.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 1.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.463 HG12 ' HB ' ' A' ' 32' ' ' THR . 24.2 t -85.87 124.01 39.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 1.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -46.29 134.93 8.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 1.0 110.294 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.3 m -48.05 -61.58 1.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 1.0 108.281 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 33' ' ' CYS . 62.4 t -40.38 -51.98 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 1.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.463 ' HB ' HG12 ' A' ' 28' ' ' VAL . 2.3 m -37.0 -32.54 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 1.0 110.429 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.607 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.8 OUTLIER -110.6 -53.69 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 1.0 108.275 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -83.97 73.02 10.4 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.027 -0.988 . . . . 1.0 109.787 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -47.66 160.34 0.12 Allowed 'General case' 0 CA--C 1.54 0.57 0 O-C-N 124.205 0.94 . . . . 1.0 109.746 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.18 155.82 22.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 1.0 109.309 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.4 t -118.4 112.49 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 1.0 109.333 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 t0 56.86 41.77 27.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 1.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.95 33.37 73.61 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.529 1.143 . . . . 1.0 111.031 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.25 126.95 27.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 1.0 109.333 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -43.23 143.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.097 . . . . 1.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.59 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -149.65 153.83 37.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 1.0 110.001 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.59 ' CD1' ' O ' ' A' ' 42' ' ' SER . 79.2 m-85 -159.47 47.93 0.3 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.99 -1.005 . . . . 1.0 109.873 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.441 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -100.65 147.42 26.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 1.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' O ' HMC3 ' A' ' 251' ' ' HEM . 4.3 mmtp -42.65 152.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 1.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.518 ' HA ' ' HAB' ' A' ' 251' ' ' HEM . 0.1 OUTLIER -50.83 -36.84 39.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 1.0 108.265 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -108.13 62.8 0.29 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.552 1.158 . . . . 1.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.441 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 28.2 t -98.28 167.1 11.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 1.0 110.025 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.7 p -49.3 129.36 18.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 1.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.79 48.88 82.94 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.163 . . . . 1.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.403 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 16.1 m -144.48 -145.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.256 -1.016 . . . . 1.0 108.256 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -89.93 76.43 7.08 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.983 -1.008 . . . . 1.0 109.78 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -127.43 57.18 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 1.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -161.54 92.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 1.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.418 HD11 ' HB3' ' A' ' 64' ' ' LEU . 9.6 mp -92.23 15.1 14.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 1.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -75.64 -17.03 60.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 1.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.08 162.24 13.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 1.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.503 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 0.2 OUTLIER -102.79 -7.64 21.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 1.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.39 134.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 1.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 151.81 157.54 7.97 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 1.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -59.59 -14.82 14.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 0.764 . . . . 1.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.53 39.62 1.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 1.0 109.252 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -135.85 140.82 44.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 1.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.467 ' O ' ' CGD' ' A' ' 305' ' ' HEM . 43.8 tp -100.44 37.55 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 1.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.503 ' CD2' ' O ' ' A' ' 58' ' ' LYS . 3.7 t80 -130.13 -33.98 1.7 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.831 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -87.77 -1.63 58.09 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 118.919 -0.562 . . . . 1.0 109.829 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.3 m -120.04 5.69 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 1.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 t -107.09 -43.22 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 1.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.684 ' O ' ' C ' ' A' ' 70' ' ' ALA . 40.8 m80 -98.39 -82.26 0.43 Allowed 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.005 -0.998 . . . . 1.0 109.747 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.95 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 12.68 89.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 1.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.59 21.95 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 1.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.24 -171.53 26.05 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.473 1.108 . . . . 1.0 111.029 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -75.38 103.34 5.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 0.721 . . . . 1.0 110.255 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.95 HD11 ' CB ' ' A' ' 70' ' ' ALA . 73.9 mt -109.83 160.8 16.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.404 ' HB2' HAA2 ' A' ' 251' ' ' HEM . 0.9 OUTLIER -45.81 -29.99 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 1.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -124.89 -144.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 1.0 109.589 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 22.6 m -126.09 103.97 8.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 1.0 110.351 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.859 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -68.18 166.33 16.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 1.0 110.031 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.415 ' C ' ' N ' ' A' ' 81' ' ' ALA . 7.8 m -61.42 -66.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.0 108.309 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.9 OUTLIER -48.27 -22.37 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 1.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.805 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -64.64 -70.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 1.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.503 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 50.7 t -50.74 -63.72 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 1.0 108.281 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -36.06 -31.43 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.975 -1.011 . . . . 1.0 109.734 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 5.1 t -55.99 -51.52 67.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 1.0 110.013 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' CYS . 1.0 OUTLIER -65.74 -36.68 84.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.097 . . . . 1.0 109.325 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.482 ' CG1' HD12 ' A' ' 97' ' ' LEU . 87.1 t -58.95 -45.84 91.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 1.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.737 HG21 HG21 ' A' ' 98' ' ' THR . 8.7 t -54.7 -27.71 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 1.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.06 12.14 10.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 109.261 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -123.64 -42.63 2.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 1.0 110.34 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.432 ' HB3' ' CD1' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -121.3 83.41 39.67 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 1.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -58.95 -9.17 7.21 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.304 3.336 . . . . 1.0 109.61 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.99 30.09 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 110.313 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.681 HD13 ' HG ' ' A' ' 97' ' ' LEU . 18.0 mt -113.73 -64.54 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 1.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt 57.55 -90.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 1.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -106.5 40.41 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.495 ' C ' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -112.36 -47.86 3.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 1.0 109.277 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.681 ' HG ' HD13 ' A' ' 93' ' ' LEU . 3.7 mt -100.44 -20.12 15.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 1.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.737 HG21 HG21 ' A' ' 87' ' ' VAL . 3.2 p -134.92 39.29 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 1.0 110.392 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -98.7 128.48 9.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 1.0 111.029 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 79.0 m -72.67 -30.81 64.58 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.32 -0.993 . . . . 1.0 108.32 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.423 ' C ' ' N ' ' A' ' 103' ' ' SER . . . -142.73 173.5 11.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 1.0 109.341 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.3 mttm 43.8 27.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 1.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 101' ' ' ALA . 43.5 p -106.56 -173.31 2.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 1.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.642 ' CE ' ' C3A' ' A' ' 282' ' ' HEM . 0.0 OUTLIER -85.74 -7.23 58.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.093 . . . . 1.0 109.33 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.414 ' C ' ' CD ' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -104.51 -47.05 4.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 1.0 108.328 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.475 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 86.5 m-70 -119.92 55.77 3.76 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 115.007 -0.997 . . . . 1.0 109.748 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 106' ' ' HIS . 37.2 Cg_endo . . . . . 0 N--CA 1.447 -1.225 0 C-N-CA 124.333 3.355 . . . . 1.0 109.592 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.736 ' CMA' ' HG2' ' A' ' 2' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.518 ' HAB' ' HA ' ' A' ' 46' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.642 ' C3A' ' CE ' ' A' ' 104' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.795 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.701 ' HB1' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 122.058 0.932 . . . . 1.0 109.299 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.701 ' CD ' ' HB1' ' A' ' 1' ' ' ALA . 11.7 Cg_exo -72.55 157.96 51.77 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.318 3.345 . . . . 1.0 109.591 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.78 121.82 17.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 1.0 109.323 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.37 121.68 65.16 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 1.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.553 ' HG3' ' CGA' ' A' ' 233' ' ' HEM . 65.5 Cg_endo -76.52 125.17 8.13 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.288 3.325 . . . . 1.0 109.569 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 3.8 p-10 -85.06 8.14 19.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 1.0 109.312 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -114.52 91.0 23.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.539 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 10.6 Cg_exo -39.95 147.27 0.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.334 3.356 . . . . 1.0 109.595 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.27 147.09 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 1.0 109.329 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.37 140.02 29.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 1.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.3 t -118.88 84.52 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 1.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt -89.54 94.4 9.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.422 ' C ' HD13 ' A' ' 55' ' ' LEU . . . -75.86 -131.38 0.35 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.455 1.097 . . . . 1.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.638 ' CB ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -57.96 -73.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 1.0 110.027 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.401 ' N ' ' OG ' ' A' ' 14' ' ' SER . 4.1 tt0 -145.81 46.69 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 1.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HD2' ' ND1' ' A' ' 106' ' ' HIS . 2.3 mmtt -153.25 103.95 2.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 1.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.7 m -78.38 134.19 37.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.0 110.394 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.2 t -145.41 126.9 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 1.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.34 134.26 47.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 1.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.643 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 19.7 t80 -115.28 123.73 31.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 1.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.787 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 33.5 Cg_endo -87.63 139.3 4.79 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.346 3.364 . . . . 1.0 109.619 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -87.34 -33.77 19.07 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.102 0.876 . . . . 1.0 109.774 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.92 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.76 -54.79 20.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 1.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.92 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 37.8 Cg_exo -64.09 -5.54 9.6 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.29 3.327 . . . . 1.0 109.601 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.497 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 70.1 m80 -134.6 39.65 3.01 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 124.147 0.904 . . . . 1.0 109.805 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 18.7 tt0 -100.2 4.85 44.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 1.0 110.317 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -113.69 -21.11 10.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 1.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.7 t -84.55 124.92 40.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 1.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -46.49 133.62 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 1.0 110.275 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 31' ' ' VAL . 8.4 m -48.78 -61.91 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 1.0 108.288 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 32' ' ' THR . 5.3 p -40.14 -51.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 1.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.441 ' N ' HG13 ' A' ' 31' ' ' VAL . 2.4 m -37.45 -35.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 1.0 110.42 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.596 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.8 OUTLIER -107.05 -52.33 2.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 1.0 108.318 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -84.78 72.78 10.7 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.008 -0.996 . . . . 1.0 109.764 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 3.2 p80 -48.87 160.23 0.2 Allowed 'General case' 0 CA--C 1.54 0.568 0 O-C-N 124.207 0.942 . . . . 1.0 109.77 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.67 152.33 22.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 1.0 109.308 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.4 t -120.65 112.65 37.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 1.0 109.328 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t0 55.46 41.4 30.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 1.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.3 39.69 65.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 1.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.77 105.95 6.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 1.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -46.77 124.41 6.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 1.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.584 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -141.37 165.5 27.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 1.0 110.015 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 42' ' ' SER . 54.4 m-85 -154.38 55.72 0.7 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.997 -1.001 . . . . 1.0 109.859 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.62 147.96 23.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 1.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -45.04 153.01 0.21 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 1.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.414 ' HA ' ' HAB' ' A' ' 251' ' ' HEM . 0.0 OUTLIER -51.47 -41.86 61.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 1.0 108.284 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.39 58.02 1.16 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 1.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.9 t -92.23 166.84 12.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 0.794 . . . . 1.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.402 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -56.91 135.62 55.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 1.0 110.034 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.01 39.14 89.09 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 1.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 49' ' ' SER . 20.8 m -135.86 -143.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.364 -0.976 . . . . 1.0 108.364 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -89.77 76.94 7.14 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.038 -0.983 . . . . 1.0 109.757 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -129.3 52.17 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 1.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -152.92 92.29 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 1.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.638 HD22 ' CB ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -93.56 16.8 12.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 1.0 109.255 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 m -82.07 -15.49 53.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 1.0 110.433 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.41 169.02 8.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 1.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -109.29 -13.35 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 58' ' ' LYS . 10.1 mttp -162.87 135.79 5.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 1.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 145.69 157.64 7.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.444 1.09 . . . . 1.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -58.45 -18.46 28.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 1.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 1.3 mtpt -101.5 37.07 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -136.61 134.61 37.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 110.019 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.0 tp -96.44 35.91 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 1.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -128.27 -33.31 2.16 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.845 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -88.08 -1.48 58.03 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 118.874 -0.584 . . . . 1.0 109.794 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.8 m -120.64 4.97 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 1.0 109.291 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.52 HG21 HBD1 ' A' ' 305' ' ' HEM . 2.3 t -104.03 -48.37 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 1.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.672 ' O ' ' C ' ' A' ' 70' ' ' ALA . 28.8 m80 -95.73 -78.62 0.45 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.987 -1.006 . . . . 1.0 109.77 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 1.068 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 14.66 90.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 1.0 109.307 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.481 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -96.54 26.56 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 1.0 110.282 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.02 -152.3 16.76 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.488 1.117 . . . . 1.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -88.99 104.95 17.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 0.752 . . . . 1.0 110.331 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.068 HD11 ' CB ' ' A' ' 70' ' ' ALA . 73.0 mt -114.81 176.54 5.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 1.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -50.44 73.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 1.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.522 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 7.4 m-70 -106.99 -140.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 1.0 109.599 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.8 m -126.07 104.56 8.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 1.0 110.394 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.839 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -66.08 167.01 10.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 1.0 110.041 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.403 ' C ' ' N ' ' A' ' 81' ' ' ALA . 13.2 m -61.51 -67.09 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 1.0 108.286 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -48.38 -22.45 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 1.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -65.51 -72.0 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 1.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.45 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 48.1 t -47.77 -57.44 5.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 1.0 108.323 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 1.013 ' O ' HG23 ' A' ' 87' ' ' VAL . 12.7 m170 -42.63 -37.21 1.63 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.021 -0.99 . . . . 1.0 109.724 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.415 ' OG ' ' NE ' ' A' ' 71' ' ' ARG . 8.6 t -64.28 -47.03 81.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 1.0 109.953 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 10.3 mmtt -66.14 -42.09 89.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 1.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.3 t -55.7 -37.36 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 1.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 1.013 HG23 ' O ' ' A' ' 83' ' ' HIS . 57.3 t -55.53 -26.34 19.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 1.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -80.96 5.04 17.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.48 -46.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 1.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.479 ' O ' HD12 ' A' ' 93' ' ' LEU . 1.4 ttpt -129.46 75.72 79.61 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 1.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -83.39 25.0 0.71 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.298 3.332 . . . . 1.0 109.574 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.56 24.5 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 1.0 110.262 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.773 HD22 ' CD2' ' A' ' 97' ' ' LEU . 1.2 mp -130.18 -76.31 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 1.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt 64.62 -75.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 1.0 109.355 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 93' ' ' LEU . 21.3 mtpp -89.97 34.96 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 1.0 109.248 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.488 ' CB ' ' HB3' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -138.62 -45.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 109.346 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.773 ' CD2' HD22 ' A' ' 93' ' ' LEU . 5.7 mt -95.4 -17.31 21.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 1.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.3 p -136.42 37.74 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 1.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.31 128.6 9.62 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.508 1.13 . . . . 1.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 84.5 m -69.32 -27.94 65.81 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -146.66 172.18 13.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 1.0 109.252 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 mttt 42.29 43.18 2.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 1.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.3 p -123.32 -162.08 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 1.0 110.028 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -96.07 10.64 36.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 1.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.433 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.7 OUTLIER -124.93 -53.11 1.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 108.277 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.402 ' ND1' ' HD2' ' A' ' 16' ' ' LYS . 92.9 m-70 -112.15 66.51 0.79 Allowed Pre-proline 0 CA--C 1.54 0.561 0 CA-C-N 115.03 -0.987 . . . . 1.0 109.78 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.433 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 73.7 Cg_endo . . . . . 0 N--CA 1.447 -1.223 0 C-N-CA 124.325 3.35 . . . . 1.0 109.552 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.643 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.584 HMD1 ' CGD' ' A' ' 251' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.58 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.823 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.681 ' HB1' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 122.094 0.949 . . . . 1.0 109.292 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.681 ' CD ' ' HB1' ' A' ' 1' ' ' ALA . 7.2 Cg_exo -75.22 154.29 41.36 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.33 3.353 . . . . 1.0 109.595 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.87 122.02 17.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 1.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.67 121.96 64.8 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 1.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -75.51 125.5 9.03 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.316 3.344 . . . . 1.0 109.59 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.407 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 4.3 p-10 -86.46 9.05 19.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 1.0 109.314 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 pttp -116.16 88.49 22.64 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 1.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.556 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 13.1 Cg_exo -41.68 147.8 0.37 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.335 3.357 . . . . 1.0 109.558 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.42 148.82 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 109.284 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.83 144.76 27.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 1.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.2 t -122.06 86.07 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 1.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -87.24 89.41 7.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 1.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.81 -134.91 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 1.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.43 ' N ' HD13 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -61.27 -68.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.794 . . . . 1.0 110.023 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -149.51 48.43 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 1.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.558 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 1.3 tptm -156.2 95.97 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 1.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.3 m -73.49 134.1 43.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 1.0 110.442 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.6 t -150.18 127.49 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 1.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -101.01 139.95 35.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 1.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.687 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 23.7 t80 -117.45 123.01 30.28 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 1.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.761 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 32.7 Cg_endo -88.17 139.57 4.44 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.318 3.345 . . . . 1.0 109.563 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -87.82 -33.77 18.49 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 124.106 0.879 . . . . 1.0 109.756 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.916 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.86 -54.88 20.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 1.0 109.267 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.916 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 36.5 Cg_exo -63.79 -6.09 10.17 Favored 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 124.303 3.335 . . . . 1.0 109.574 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.414 ' CD2' ' CBC' ' A' ' 233' ' ' HEM . 69.9 m80 -133.55 40.4 3.14 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 124.156 0.91 . . . . 1.0 109.817 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.7 9.01 41.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 1.0 110.346 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.62 -3.05 8.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 1.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.0 t -101.98 122.6 54.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 1.0 109.286 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.31 129.6 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 1.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.9 m -47.15 -60.58 2.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 1.0 108.244 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 32' ' ' THR . 7.3 p -40.34 -52.04 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 1.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.46 ' N ' HG13 ' A' ' 31' ' ' VAL . 3.3 m -37.1 -32.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 1.0 110.424 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.597 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 0.8 OUTLIER -110.81 -52.47 2.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 1.0 108.29 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -85.15 73.47 10.62 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.786 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -49.56 160.61 0.26 Allowed 'General case' 0 CA--C 1.54 0.567 0 O-C-N 124.1 0.875 . . . . 1.0 109.723 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.02 148.75 26.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 1.0 109.232 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.7 t -116.36 112.81 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 1.0 109.332 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 52.5 40.67 30.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 1.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.61 38.54 82.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 1.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.05 103.04 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 1.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -44.27 122.87 3.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 1.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.4 t -142.4 159.22 42.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 1.0 110.004 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.479 ' CD2' ' HG2' ' A' ' 2' ' ' PRO . 77.8 m-85 -142.63 56.55 1.43 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.841 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.644 ' HB1' ' CB ' ' A' ' 48' ' ' SER . . . -95.47 147.28 23.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 1.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.611 ' O ' HMC3 ' A' ' 251' ' ' HEM . 0.3 OUTLIER -47.71 155.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 1.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.501 ' HB3' HD13 ' A' ' 64' ' ' LEU . 1.1 m -50.48 -33.6 21.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 1.0 108.306 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.72 65.05 0.28 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.106 . . . . 1.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.644 ' CB ' ' HB1' ' A' ' 44' ' ' ALA . 26.7 t -99.23 168.46 10.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 1.0 110.039 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.6 m -46.36 116.72 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.0 109.964 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.408 ' O ' ' HAC' ' A' ' 251' ' ' HEM . . . 65.65 58.05 10.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 1.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.406 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 18.1 m -149.58 -144.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.302 -0.999 . . . . 1.0 108.302 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -89.06 82.45 6.64 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.021 -0.99 . . . . 1.0 109.778 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -135.57 50.35 2.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 1.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -151.67 93.23 1.84 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 1.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.55 HD11 ' O2D' ' A' ' 305' ' ' HEM . 3.1 mt -94.47 18.12 11.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 1.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.76 -7.68 23.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 1.0 110.446 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.546 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -86.33 -53.03 5.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 1.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.546 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 2.8 tppt? 90.63 -34.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 1.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.14 129.44 16.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 1.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 142.03 -178.88 20.41 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.459 1.099 . . . . 1.0 111.033 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -85.51 15.29 4.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 1.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 6.2 mmtt -129.84 36.13 4.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 1.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -134.89 141.25 46.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 1.0 110.047 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.501 HD13 ' HB3' ' A' ' 46' ' ' CYS . 44.0 tp -99.38 36.26 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 1.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -129.07 -33.5 1.97 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.981 -1.009 . . . . 1.0 109.882 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -87.29 -2.05 58.35 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 118.887 -0.578 . . . . 1.0 109.86 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.7 m -119.91 5.07 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 1.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 t -106.74 -41.63 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 1.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.683 ' O ' ' C ' ' A' ' 70' ' ' ALA . 37.3 m80 -100.27 -82.77 0.45 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.007 -0.997 . . . . 1.0 109.731 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.939 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 13.23 89.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 1.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.75 23.85 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 1.0 110.321 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -105.17 -170.7 24.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.11 . . . . 1.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -75.41 101.57 4.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 0.745 . . . . 1.0 110.286 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.939 HD11 ' CB ' ' A' ' 70' ' ' ALA . 82.0 mt -107.35 167.88 9.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 1.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -28.84 37.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 1.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -126.49 -143.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 1.0 109.623 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.8 m -125.84 104.89 8.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 1.0 110.42 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.869 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -69.68 167.0 17.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 1.0 110.012 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.403 ' C ' ' N ' ' A' ' 81' ' ' ALA . 11.3 m -61.94 -66.2 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 1.0 108.262 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -48.0 -23.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -63.86 -70.59 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 1.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.465 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 51.4 t -50.8 -61.47 2.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 1.0 108.287 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.401 ' ND1' ' HB3' ' A' ' 97' ' ' LEU . 12.5 m170 -38.93 -29.13 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.972 -1.013 . . . . 1.0 109.768 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 3.2 t -59.09 -50.23 74.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 1.0 110.041 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 82' ' ' CYS . 1.3 mttt -67.99 -35.65 78.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 1.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.576 HG11 HD12 ' A' ' 97' ' ' LEU . 77.1 t -58.21 -48.44 84.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 1.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.746 HG21 HG21 ' A' ' 98' ' ' THR . 18.9 t -54.45 -31.23 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 1.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.42 12.52 10.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' C ' ' HD3' ' A' ' 91' ' ' PRO . 5.0 tt0 -123.85 -40.28 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 1.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.445 ' HB3' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -122.41 80.89 46.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 1.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.404 ' C ' ' H ' ' A' ' 93' ' ' LEU . 32.8 Cg_exo -56.28 -11.77 6.7 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.323 3.349 . . . . 1.0 109.619 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -82.86 26.98 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 1.0 110.303 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.495 ' O ' ' C ' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -109.94 -71.27 0.77 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 1.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.495 ' C ' ' O ' ' A' ' 93' ' ' LEU . 10.1 tptp 33.27 89.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 1.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 94' ' ' LYS . 6.0 tttp 81.05 34.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.448 ' HB2' ' CB ' ' A' ' 93' ' ' LEU . 1.6 m-20 -118.11 -51.88 2.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 1.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.576 HD12 HG11 ' A' ' 86' ' ' VAL . 18.3 mt -109.92 2.97 20.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 1.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.746 HG21 HG21 ' A' ' 87' ' ' VAL . 7.0 p -147.83 39.1 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 1.0 110.364 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -105.54 130.03 10.04 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.482 1.114 . . . . 1.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 77.6 m -70.4 -30.96 67.98 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.342 -0.985 . . . . 1.0 108.342 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.26 171.26 14.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 1.0 109.254 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.0 mttt 40.65 46.93 2.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 1.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.73 -169.07 1.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 1.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.01 12.27 11.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 1.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.435 ' C ' ' HD3' ' A' ' 107' ' ' PRO . 0.5 OUTLIER -128.26 -55.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 1.0 108.259 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.558 ' CE1' ' HG2' ' A' ' 16' ' ' LYS . 89.7 m-70 -110.25 76.47 1.06 Allowed Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.785 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.435 ' HD3' ' C ' ' A' ' 105' ' ' CYS . 58.7 Cg_endo . . . . . 0 N--CA 1.447 -1.237 0 C-N-CA 124.334 3.356 . . . . 1.0 109.574 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.687 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.611 HMC3 ' O ' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.58 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.821 HMC2 HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.727 ' HB1' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 122.054 0.931 . . . . 1.0 109.353 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.727 ' CD ' ' HB1' ' A' ' 1' ' ' ALA . 25.8 Cg_exo -64.5 118.14 5.13 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.353 3.369 . . . . 1.0 109.599 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -40.67 123.19 1.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.074 . . . . 1.0 109.277 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 4' ' ' VAL . 9.9 p -58.04 117.95 23.27 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -41.98 130.78 4.38 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.355 3.37 . . . . 1.0 109.589 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -72.63 -12.43 61.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 1.0 109.27 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.22 155.84 70.67 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 1.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -75.58 172.17 16.83 Favored 'Trans proline' 0 N--CA 1.446 -1.287 0 C-N-CA 124.295 3.33 . . . . 1.0 109.64 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 m -131.33 144.22 38.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 1.0 109.351 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.71 142.81 27.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 1.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.6 t -116.91 68.75 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.75 92.5 4.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 1.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.99 -130.39 0.66 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 1.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -59.23 -74.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 1.0 109.983 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.427 ' N ' ' OG ' ' A' ' 14' ' ' SER . 2.8 tt0 -145.57 45.96 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 1.0 110.282 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.484 ' HD3' ' C2A' ' A' ' 305' ' ' HEM . 1.4 mttt -149.62 97.16 2.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 1.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m -74.78 131.87 41.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 1.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.6 t -148.42 126.73 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 1.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 32.6 mtt -103.27 133.79 47.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 1.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.7 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 28.3 t80 -114.78 121.29 35.85 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.711 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 41.8 Cg_endo -86.61 138.24 5.23 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.322 3.348 . . . . 1.0 109.556 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -88.4 -33.1 18.02 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 124.149 0.906 . . . . 1.0 109.736 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.917 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.53 -54.77 20.02 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 1.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.917 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 27.7 Cg_exo -64.37 -5.51 9.98 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.294 3.329 . . . . 1.0 109.596 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.47 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 70.2 m80 -131.99 37.94 3.56 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 124.105 0.878 . . . . 1.0 109.759 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 11.2 tt0 -99.19 6.01 46.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 1.0 110.284 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.82 -4.24 11.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 1.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.9 t -104.28 123.74 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 1.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.37 142.87 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 1.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' CYS . 7.0 m -60.49 -66.01 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 1.0 108.279 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 33' ' ' CYS . 2.7 t -37.67 -57.78 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 1.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' VAL . 23.5 m -34.94 -34.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 1.0 110.39 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.526 ' HB2' ' CMC' ' A' ' 233' ' ' HEM . 0.5 OUTLIER -105.24 -45.97 4.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 108.331 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -92.63 69.83 4.85 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.954 -1.021 . . . . 1.0 109.804 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -42.05 159.48 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.572 0 O-C-N 124.111 0.882 . . . . 1.0 109.77 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.79 152.45 23.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 1.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 70.7 t -123.42 112.54 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 1.0 109.307 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 51.8 39.71 26.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 1.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.69 28.81 66.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.145 . . . . 1.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -129.67 93.8 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 1.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.78 123.26 3.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 1.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.8 t -135.41 157.47 46.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 1.0 110.04 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -139.58 55.05 1.67 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.822 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 45' ' ' LYS . . . -95.67 149.4 21.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' ALA . 16.6 mttt -40.49 147.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 1.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.51 ' HA ' ' HAB' ' A' ' 251' ' ' HEM . 0.0 OUTLIER -50.0 -27.9 6.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 1.0 108.262 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.99 66.6 0.32 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 1.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.0 t -99.82 166.62 11.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 0.732 . . . . 1.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.17 117.99 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 1.0 110.02 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.407 ' O ' ' HAC' ' A' ' 251' ' ' HEM . . . 71.75 50.11 20.78 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.492 1.12 . . . . 1.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.452 ' HB3' ' C2C' ' A' ' 251' ' ' HEM . 20.4 m -147.59 -140.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.299 -1.0 . . . . 1.0 108.299 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 61' ' ' GLU . 19.1 m-70 -96.48 78.15 2.99 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.975 -1.011 . . . . 1.0 109.741 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -134.6 47.64 2.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 1.0 109.307 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.47 99.77 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 1.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 mp -97.5 19.25 13.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 1.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.6 -5.51 42.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.524 ' O ' ' CB ' ' A' ' 58' ' ' LYS . . . -90.59 -47.52 7.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 1.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 91.17 -27.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 1.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -155.23 135.89 13.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 1.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.64 161.88 9.87 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 1.0 111.051 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.449 ' O ' ' ND1' ' A' ' 52' ' ' HIS . 0.7 OUTLIER -61.59 -13.58 23.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 1.0 110.298 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -99.16 31.49 3.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 1.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 t -135.5 145.79 47.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 1.0 110.013 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.3 tp -109.3 42.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 1.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -133.5 -34.96 1.02 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.027 -0.988 . . . . 1.0 109.828 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -88.38 -1.28 57.95 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 118.872 -0.585 . . . . 1.0 109.819 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.7 m -119.01 2.05 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 1.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.1 t -100.29 -48.13 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.681 ' O ' ' C ' ' A' ' 70' ' ' ALA . 23.9 m80 -95.7 -78.77 0.45 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.939 -1.028 . . . . 1.0 109.777 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.979 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . 12.3 88.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 1.0 109.275 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.86 22.43 3.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 1.0 110.337 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.05 -164.0 24.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 1.0 110.979 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -79.74 105.91 11.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 1.0 110.269 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.979 HD11 ' CB ' ' A' ' 70' ' ' ALA . 82.7 mt -113.45 164.06 14.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 1.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -50.19 -34.87 24.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.4 m80 -120.74 -143.76 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 1.0 109.548 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.4 m -125.06 104.9 8.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 1.0 110.415 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.862 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -67.99 165.55 17.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 1.0 110.033 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.41 ' C ' ' N ' ' A' ' 81' ' ' ALA . 9.6 m -61.2 -66.88 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 1.0 108.312 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.67 -22.63 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 1.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.807 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -65.04 -70.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 1.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.524 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 50.7 t -50.06 -60.79 2.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 1.0 108.299 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.536 ' O ' HG23 ' A' ' 87' ' ' VAL . 13.0 m170 -39.13 -33.51 0.13 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.031 -0.986 . . . . 1.0 109.775 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 0.6 OUTLIER -56.47 -46.94 80.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 1.0 109.975 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 82' ' ' CYS . 0.1 OUTLIER -69.59 -40.18 76.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 1.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.621 HG11 ' CD1' ' A' ' 97' ' ' LEU . 84.2 t -55.03 -42.14 62.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 1.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 83' ' ' HIS . 49.3 t -54.73 -27.74 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 1.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.78 12.75 10.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 1.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 86' ' ' VAL . 0.5 OUTLIER -118.29 -37.7 3.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 1.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.554 ' HB3' HD12 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -131.82 67.65 79.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 1.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.42 ' HD3' ' C ' ' A' ' 89' ' ' GLU . 51.2 Cg_exo -49.93 -18.47 3.02 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.342 3.361 . . . . 1.0 109.578 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.687 ' O ' HD23 ' A' ' 93' ' ' LEU . 2.3 pt-20 -84.79 27.63 0.73 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 1.0 110.29 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.687 HD23 ' O ' ' A' ' 92' ' ' GLU . 75.2 mt -132.7 -75.54 0.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 1.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.534 ' C ' ' O ' ' A' ' 93' ' ' LEU . 45.6 tttt 29.44 61.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 1.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' A' ' 98' ' ' THR . 0.5 OUTLIER 177.88 -58.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 1.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.796 ' C ' HD23 ' A' ' 97' ' ' LEU . 22.9 m-20 -54.21 -20.04 6.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 1.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.796 HD23 ' C ' ' A' ' 96' ' ' ASP . 3.3 mt -111.49 -31.99 6.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 1.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 95' ' ' LYS . 31.2 p -113.82 -146.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 1.0 110.396 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 68.43 132.38 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.501 1.125 . . . . 1.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.505 ' SG ' ' CMB' ' A' ' 305' ' ' HEM . 65.9 m -77.37 -28.79 52.99 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.304 -0.999 . . . . 1.0 108.304 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.59 167.6 19.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 1.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 55.45 48.46 18.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 1.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.3 m -136.6 178.59 6.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 1.0 109.962 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.56 -3.54 59.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 1.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.3 m -101.95 -40.9 6.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 1.0 108.301 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.453 ' CE1' ' HE2' ' A' ' 16' ' ' LYS . 80.6 m-70 -131.68 74.53 77.71 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.021 -0.991 . . . . 1.0 109.781 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo . . . . . 0 N--CA 1.447 -1.211 0 C-N-CA 124.339 3.359 . . . . 1.0 109.592 179.869 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.7 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.51 ' HAB' ' HA ' ' A' ' 46' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.569 ' C1C' HBC1 ' A' ' 233' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.799 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_